A1JNV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O7	N3	doub	1.22Å	1.22Å
O6	N3	doub	1.22Å	1.23Å
N3	C10	sing	1.48Å	1.46Å
C10	C9	doub	1.38Å	1.37Å	Aromatic
C10	C11	sing	1.38Å	1.38Å	Aromatic
C9	C8	sing	1.38Å	1.38Å	Aromatic
C11	C12	doub	1.38Å	1.38Å	Aromatic
C8	C7	doub	1.38Å	1.38Å	Aromatic
C12	C7	sing	1.38Å	1.39Å	Aromatic
C7	C6	sing	1.51Å	1.50Å
C6	C5	sing	1.51Å	1.51Å
C5	O5	doub	1.21Å	1.25Å
C5	N2	sing	1.35Å	1.34Å
N2	C3	sing	1.47Å	1.46Å
O4	C4	doub	1.21Å	1.19Å
C4	C3	sing	1.51Å	1.54Å
C3	C2	sing	1.53Å	1.55Å
C2	C1	sing	1.53Å	1.53Å
C2	N1	sing	1.46Å	1.48Å
O1	S1	doub	1.42Å	1.41Å
N1	S1	sing	1.66Å	1.60Å
S1	O3	doub	1.42Å	1.56Å
S1	O2	sing	1.52Å	1.42Å
N1	H1	sing	0.97Å	1.00Å
C8	H2	sing	1.08Å	1.08Å
N2	H3	sing	0.97Å	1.00Å
C9	H4	sing	1.08Å	1.08Å
C1	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C6	H9	sing	1.09Å	1.10Å
C4	H10	sing	1.08Å	1.08Å
C3	H11	sing	1.09Å	1.10Å
C2	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.08Å	1.08Å
C12	H14	sing	1.08Å	1.08Å
O2	H15	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O7	N3	O6	123.8°	120.0°
O7	N3	C10	118.2°	120.0°
O6	N3	C10	118.0°	120.0°
N3	C10	C9	118.4°	120.0°
N3	C10	C11	119.1°	120.0°
C9	C10	C11	122.5°	120.0°
C10	C9	C8	118.3°	120.0°
C10	C9	H4	120.9°	120.0°
C10	C11	C12	118.1°	120.0°
C10	C11	H13	120.9°	120.0°
C9	C8	C7	121.4°	120.0°
C9	C8	H2	119.3°	120.0°
C8	C9	H4	120.8°	120.0°
C11	C12	C7	121.4°	120.1°
C12	C11	H13	121.0°	120.0°
C11	C12	H14	119.3°	120.0°
C8	C7	C12	118.3°	120.0°
C8	C7	C6	120.5°	120.0°
C7	C8	H2	119.3°	120.0°
C12	C7	C6	121.1°	120.0°
C7	C12	H14	119.3°	119.9°
C7	C6	C5	108.0°	109.5°
C7	C6	H8	109.8°	109.5°
C7	C6	H9	109.8°	109.5°
C6	C5	O5	120.8°	120.0°
C6	C5	N2	116.0°	120.1°
C5	C6	H8	109.9°	109.4°
C5	C6	H9	109.8°	109.5°
O5	C5	N2	123.2°	120.0°
C5	N2	C3	123.4°	120.0°
C5	N2	H3	118.3°	120.0°
N2	C3	C4	108.8°	109.4°
N2	C3	C2	113.0°	109.5°
C3	N2	H3	118.3°	119.9°
N2	C3	H11	109.6°	109.5°
O4	C4	C3	119.6°	120.0°
O4	C4	H10	120.2°	120.0°
C4	C3	C2	108.5°	109.5°
C3	C4	H10	120.2°	119.9°
C4	C3	H11	108.5°	109.4°
C3	C2	C1	108.8°	109.5°
C3	C2	N1	111.3°	109.5°
C2	C3	H11	108.4°	109.5°
C3	C2	H12	107.5°	109.5°
C1	C2	N1	113.0°	109.5°
C2	C1	H5	109.5°	109.4°
C2	C1	H6	109.5°	109.5°
C2	C1	H7	109.5°	109.5°
C1	C2	H12	107.7°	109.4°
C2	N1	S1	121.8°	120.0°
C2	N1	H1	106.3°	120.0°
N1	C2	H12	108.3°	109.5°
O1	S1	N1	110.9°	106.4°
O1	S1	O3	111.1°	123.1°
O1	S1	O2	119.8°	106.4°
N1	S1	O3	103.3°	106.4°
N1	S1	O2	108.1°	107.2°
S1	N1	H1	106.3°	120.0°
O3	S1	O2	102.0°	106.4°
S1	O2	H15	109.5°	114.0°
H5	C1	H6	109.5°	109.5°
H5	C1	H7	109.4°	109.4°
H6	C1	H7	109.5°	109.6°
H8	C6	H9	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O7	N3	O6	C10	178.5°	180.0°
O7	N3	C10	C9	161.7°	180.0°
O7	N3	C10	C11	19.1°	0.0°
O6	N3	C10	C9	19.7°	0.0°
O6	N3	C10	C11	159.5°	180.0°
N3	C10	C9	C11	179.1°	180.0°
N3	C10	C9	C8	179.4°	179.9°
N3	C10	C11	C12	179.2°	179.7°
N3	C10	C9	H4	0.6°	0.0°
N3	C10	C11	H13	0.8°	0.0°
C10	C9	C8	H4	180.0°	179.9°
C9	C10	C11	C12	0.1°	0.4°
C10	C9	C8	C7	0.4°	0.1°
C10	C9	C8	H2	179.6°	180.0°
C9	C10	C11	H13	179.9°	180.0°
C11	C10	C9	C8	0.2°	0.1°
C10	C11	C12	H13	180.0°	179.6°
C10	C11	C12	C7	0.7°	0.6°
C11	C10	C9	H4	179.7°	180.0°
C10	C11	C12	H14	179.4°	180.0°
C9	C8	C7	H2	180.0°	179.9°
C9	C8	C7	C12	1.1°	0.4°
C9	C8	C7	C6	178.8°	180.0°
C11	C12	C7	C8	1.3°	0.6°
C11	C12	C7	H14	180.0°	179.4°
C11	C12	C7	C6	178.9°	179.7°
C8	C7	C12	C6	177.6°	179.6°
C8	C7	C6	C5	98.4°	90.0°
C7	C8	C9	H4	179.6°	180.0°
C8	C7	C6	H8	21.4°	150.1°
C8	C7	C6	H9	141.8°	30.1°
C8	C7	C12	H14	178.7°	180.0°
C12	C7	C6	C5	79.2°	89.7°
C12	C7	C8	H2	178.9°	179.7°
C12	C7	C6	H8	161.0°	30.3°
C12	C7	C6	H9	40.6°	150.3°
C7	C12	C11	H13	179.3°	179.7°
C7	C6	C5	H8	119.8°	120.0°
C7	C6	C5	H9	119.8°	120.0°
C7	C6	C5	O5	36.0°	0.1°
C7	C6	C5	N2	142.9°	180.0°
C6	C7	C8	H2	1.2°	0.1°
C7	C6	H8	H9	120.7°	120.0°
C6	C7	C12	H14	1.1°	0.3°
C6	C5	O5	N2	178.8°	179.9°
C6	C5	N2	C3	167.9°	180.0°
C6	C5	N2	H3	12.1°	0.0°
C5	C6	H8	H9	120.6°	120.0°
O5	C5	N2	C3	11.0°	0.0°
O5	C5	N2	H3	169.0°	180.0°
O5	C5	C6	H8	83.7°	120.1°
O5	C5	C6	H9	155.8°	120.0°
C5	N2	C3	H3	180.0°	180.0°
C5	N2	C3	C4	100.1°	85.0°
C5	N2	C3	C2	139.3°	155.0°
N2	C5	C6	H8	97.3°	60.0°
N2	C5	C6	H9	23.1°	60.0°
C5	N2	C3	H11	18.3°	35.0°
N2	C3	C4	O4	40.0°	0.1°
N2	C3	C4	C2	123.3°	120.0°
N2	C3	C4	H11	119.2°	120.0°
N2	C3	C2	H11	121.6°	120.0°
N2	C3	C2	C1	95.6°	60.0°
N2	C3	C2	N1	139.3°	180.0°
N2	C3	C4	H10	140.0°	180.0°
N2	C3	C2	H12	20.8°	60.0°
O4	C4	C3	H10	180.0°	179.9°
O4	C4	C3	C2	83.3°	119.9°
O4	C4	C3	H11	159.2°	120.0°
C4	C3	C2	H11	117.6°	120.0°
C4	C3	C2	C1	143.7°	180.0°
C4	C3	C2	N1	18.5°	60.1°
C4	C3	N2	H3	79.8°	95.0°
C4	C3	C2	H12	99.9°	60.0°
C3	C2	C1	N1	124.2°	120.0°
C3	C2	C1	H12	116.3°	120.0°
C3	C2	N1	H12	118.0°	120.1°
C3	C2	N1	S1	145.6°	145.1°
C3	C2	N1	H1	23.9°	34.7°
C2	C3	N2	H3	40.7°	25.0°
C3	C2	C1	H5	180.0°	60.0°
C3	C2	C1	H6	60.0°	180.0°
C3	C2	C1	H7	60.0°	59.9°
C2	C3	C4	H10	96.7°	60.0°
C1	C2	N1	H12	119.3°	120.0°
C1	C2	N1	S1	91.6°	95.0°
C1	C2	N1	H1	146.7°	85.3°
C2	C1	H5	H6	120.0°	120.0°
C2	C1	H5	H7	120.0°	120.0°
C2	C1	H6	H7	120.0°	120.1°
C1	C2	C3	H11	26.0°	60.0°
C2	N1	S1	O1	70.9°	48.8°
C2	N1	S1	H1	121.7°	179.8°
C2	N1	S1	O3	48.2°	178.3°
C2	N1	S1	O2	155.8°	64.8°
N1	C2	C1	H5	55.9°	180.0°
N1	C2	C1	H6	64.1°	60.1°
N1	C2	C1	H7	175.8°	60.0°
N1	C2	C3	H11	99.1°	60.0°
O1	S1	N1	O3	119.2°	132.9°
O1	S1	N1	O2	133.2°	113.6°
O1	S1	O3	O2	128.9°	123.0°
O1	S1	N1	H1	50.8°	131.4°
O1	S1	O2	H15	123.1°	66.4°
N1	S1	O3	O2	112.1°	114.1°
S1	N1	C2	H12	27.7°	25.0°
N1	S1	O2	H15	108.5°	180.0°
O3	S1	N1	H1	169.9°	1.5°
O3	S1	O2	H15	0.0°	66.5°
O2	S1	N1	H1	82.5°	115.0°
H1	N1	C2	H12	94.0°	154.8°
H2	C8	C9	H4	0.4°	0.1°
H3	N2	C3	H11	161.7°	145.1°
H5	C1	H6	H7	120.0°	120.0°
H5	C1	C2	H12	63.7°	60.0°
H6	C1	C2	H12	176.3°	59.9°
H7	C1	C2	H12	56.3°	180.0°
H10	C4	C3	H11	20.8°	60.1°
H11	C3	C2	H12	142.5°	NaN°
H13	C11	C12	H14	0.6°	0.3°

Release date:	2026-02-18
Definition date:	2025-08-26
Last modified:	2026-02-13
Release status:	REL
Processing site:	PDBE
Derived from:	9SG6