JV6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N4	C9	doub	1.30Å	1.36Å	Aromatic
N4	N3	sing	1.40Å	1.41Å	Aromatic
C9	C10	sing	1.41Å	1.39Å	Aromatic
C8	N3	sing	1.46Å	1.49Å
O4	S	doub	1.42Å	1.45Å
N3	C7	sing	1.34Å	1.32Å	Aromatic
O6	C11	doub	1.22Å	1.22Å
C10	C7	doub	1.38Å	1.48Å	Aromatic
C10	C11	sing	1.47Å	1.48Å
C7	S	sing	1.76Å	1.66Å
C11	O5	sing	1.35Å	1.33Å
S	N2	sing	1.66Å	1.61Å
S	O3	doub	1.42Å	1.44Å
N2	C6	sing	1.35Å	1.34Å
C6	O2	doub	1.22Å	1.23Å
C6	N1	sing	1.35Å	1.33Å
N1	C5	sing	1.39Å	1.35Å
C5	N5	doub	1.32Å	1.36Å	Aromatic
C5	N	sing	1.32Å	1.35Å	Aromatic
N5	C1	sing	1.33Å	1.36Å	Aromatic
N	C3	doub	1.33Å	1.35Å	Aromatic
C1	O	sing	1.36Å	1.38Å
C1	C2	doub	1.39Å	1.40Å	Aromatic
C4	O1	sing	1.43Å	1.43Å
C3	C2	sing	1.39Å	1.40Å	Aromatic
C3	O1	sing	1.35Å	1.37Å
O	C	sing	1.43Å	1.43Å
N1	H1	sing	0.97Å	1.00Å
N2	H2	sing	0.97Å	1.00Å
C2	H3	sing	1.08Å	1.08Å
C	H4	sing	1.09Å	1.10Å
C	H5	sing	1.09Å	1.10Å
C	H6	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
C4	H9	sing	1.09Å	1.10Å
C8	H10	sing	1.09Å	1.10Å
C8	H11	sing	1.09Å	1.10Å
C8	H12	sing	1.09Å	1.10Å
C9	H13	sing	1.08Å	1.08Å
O5	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	N4	N3	109.9°	108.9°
N4	C9	C10	108.0°	108.0°
N4	C9	H13	126.0°	126.0°
N4	N3	C8	116.6°	125.7°
N4	N3	C7	108.1°	108.6°
C9	C10	C7	105.5°	107.1°
C9	C10	C11	131.3°	126.4°
C10	C9	H13	126.0°	126.0°
C8	N3	C7	135.3°	125.7°
N3	C8	H10	109.5°	109.4°
N3	C8	H11	109.4°	109.5°
N3	C8	H12	109.5°	109.5°
O4	S	C7	108.8°	106.4°
O4	S	N2	108.7°	106.4°
O4	S	O3	110.8°	123.2°
N3	C7	C10	108.5°	107.4°
N3	C7	S	124.9°	126.3°
O6	C11	C10	119.1°	120.0°
O6	C11	O5	120.5°	120.0°
C7	C10	C11	123.2°	126.5°
C10	C7	S	126.6°	126.3°
C10	C11	O5	120.4°	120.1°
C7	S	N2	109.5°	107.2°
C7	S	O3	110.9°	106.4°
C11	O5	H14	109.5°	117.1°
N2	S	O3	108.2°	106.4°
S	N2	C6	121.0°	120.0°
S	N2	H2	119.5°	120.0°
N2	C6	O2	122.0°	120.0°
N2	C6	N1	114.5°	120.0°
C6	N2	H2	119.5°	120.1°
O2	C6	N1	123.4°	120.0°
C6	N1	C5	126.6°	120.0°
C6	N1	H1	116.7°	119.9°
N1	C5	N5	123.1°	119.1°
N1	C5	N	116.3°	119.1°
C5	N1	H1	116.7°	120.1°
N5	C5	N	120.6°	121.8°
C5	N5	C1	120.6°	120.7°
C5	N	C3	120.8°	120.8°
N5	C1	O	119.0°	120.4°
N5	C1	C2	119.8°	119.1°
N	C3	C2	120.1°	119.1°
N	C3	O1	117.7°	120.4°
O	C1	C2	121.2°	120.5°
C1	O	C	121.1°	117.0°
C1	C2	C3	118.2°	118.4°
C1	C2	H3	120.9°	120.8°
C4	O1	C3	120.2°	117.0°
O1	C4	H7	109.5°	109.5°
O1	C4	H8	109.4°	109.5°
O1	C4	H9	109.5°	109.5°
C2	C3	O1	122.2°	120.5°
C3	C2	H3	120.9°	120.8°
O	C	H4	109.5°	109.5°
O	C	H5	109.5°	109.5°
O	C	H6	109.5°	109.4°
H4	C	H5	109.4°	109.6°
H4	C	H6	109.5°	109.4°
H5	C	H6	109.5°	109.5°
H7	C4	H8	109.5°	109.4°
H7	C4	H9	109.5°	109.4°
H8	C4	H9	109.5°	109.5°
H10	C8	H11	109.5°	109.5°
H10	C8	H12	109.5°	109.5°
H11	C8	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N4	C9	C10	H13	180.0°	179.6°
C9	N4	N3	C8	179.6°	179.8°
C9	N4	N3	C7	0.0°	0.1°
N4	C9	C10	C7	0.0°	0.4°
N4	C9	C10	C11	179.5°	180.0°
N3	N4	C9	C10	0.0°	0.3°
N4	N3	C8	C7	179.5°	179.8°
N4	N3	C7	C10	0.1°	0.2°
N4	N3	C7	S	179.6°	179.7°
N4	N3	C8	H10	0.0°	89.7°
N4	N3	C8	H11	120.0°	30.2°
N4	N3	C8	H12	120.0°	150.3°
N3	N4	C9	H13	180.0°	179.8°
C9	C10	C7	N3	0.1°	0.4°
C9	C10	C11	O6	116.8°	179.5°
C9	C10	C7	C11	179.6°	179.6°
C9	C10	C7	S	179.6°	179.6°
C9	C10	C11	O5	63.5°	0.5°
C8	N3	C7	C10	179.5°	180.0°
C8	N3	C7	S	0.1°	0.1°
N3	C8	H10	H11	120.0°	120.0°
N3	C8	H10	H12	120.0°	120.0°
N3	C8	H11	H12	120.0°	120.0°
O4	S	C7	N3	86.8°	23.5°
O4	S	C7	C10	92.7°	156.5°
O4	S	C7	N2	118.7°	113.5°
O4	S	C7	O3	122.0°	133.0°
O4	S	N2	O3	120.4°	133.0°
O4	S	N2	C6	180.0°	178.5°
O4	S	N2	H2	0.0°	1.5°
N3	C7	C10	S	179.6°	179.9°
N3	C7	C10	C11	179.5°	180.0°
N3	C7	S	N2	31.9°	90.0°
N3	C7	S	O3	151.2°	156.4°
C7	N3	C8	H10	179.5°	90.0°
C7	N3	C8	H11	60.5°	150.0°
C7	N3	C8	H12	59.5°	29.9°
O6	C11	C10	C7	62.7°	0.0°
O6	C11	C10	O5	179.7°	180.0°
O6	C11	O5	H14	0.0°	0.0°
C7	C10	C11	O5	117.0°	180.0°
C10	C7	S	N2	148.6°	90.1°
C10	C7	S	O3	29.3°	23.5°
C7	C10	C9	H13	179.9°	180.0°
C11	C10	C7	S	0.0°	0.1°
C11	C10	C9	H13	0.5°	0.4°
C10	C11	O5	H14	179.7°	180.0°
C7	S	N2	O3	120.9°	113.5°
C7	S	N2	C6	61.2°	65.0°
C7	S	N2	H2	118.7°	115.0°
S	N2	C6	H2	180.0°	180.0°
S	N2	C6	O2	0.7°	0.0°
S	N2	C6	N1	179.9°	180.0°
O3	S	N2	C6	59.7°	48.5°
O3	S	N2	H2	120.3°	131.5°
N2	C6	O2	N1	179.1°	180.0°
N2	C6	N1	C5	170.9°	180.0°
N2	C6	N1	H1	9.1°	0.3°
O2	C6	N1	C5	8.3°	0.0°
O2	C6	N1	H1	171.7°	179.8°
O2	C6	N2	H2	179.3°	180.0°
C6	N1	C5	H1	180.0°	179.7°
C6	N1	C5	N5	15.2°	179.8°
C6	N1	C5	N	166.0°	0.8°
N1	C6	N2	H2	0.1°	0.0°
N1	C5	N5	N	178.7°	179.4°
N1	C5	N5	C1	179.8°	180.0°
N1	C5	N	C3	179.5°	179.7°
N5	C5	N	C3	0.7°	0.3°
C5	N5	C1	O	179.6°	179.7°
C5	N5	C1	C2	0.8°	0.6°
N5	C5	N1	H1	164.8°	0.0°
N	C5	N5	C1	1.1°	0.6°
C5	N	C3	C2	0.1°	0.0°
C5	N	C3	O1	179.9°	180.0°
N	C5	N1	H1	14.0°	179.4°
N5	C1	O	C2	179.6°	179.8°
N5	C1	C2	C3	0.1°	0.3°
N5	C1	O	C	171.0°	0.2°
N5	C1	C2	H3	179.9°	179.7°
N	C3	C2	C1	0.2°	0.0°
N	C3	O1	C4	15.4°	0.0°
N	C3	C2	O1	179.9°	179.9°
N	C3	C2	H3	179.8°	180.0°
O	C1	C2	C3	179.7°	180.0°
O	C1	C2	H3	0.3°	0.1°
C1	O	C	H4	180.0°	180.0°
C1	O	C	H5	60.0°	59.9°
C1	O	C	H6	60.0°	60.1°
C1	C2	C3	H3	180.0°	180.0°
C1	C2	C3	O1	179.6°	179.9°
C2	C1	O	C	8.5°	180.0°
C4	O1	C3	C2	164.5°	180.0°
O1	C4	H7	H8	120.0°	120.0°
O1	C4	H7	H9	120.0°	120.0°
O1	C4	H8	H9	120.0°	120.1°
O1	C3	C2	H3	0.4°	0.0°
C3	O1	C4	H7	180.0°	180.0°
C3	O1	C4	H8	60.0°	60.0°
C3	O1	C4	H9	60.0°	60.0°
O	C	H4	H5	120.0°	120.1°
O	C	H4	H6	120.0°	119.9°
O	C	H5	H6	120.0°	119.9°
H4	C	H5	H6	120.0°	120.0°
H7	C4	H8	H9	120.0°	119.9°
H10	C8	H11	H12	120.0°	120.0°

Release date:	2023-08-02
Definition date:	2022-08-29
Last modified:	2023-07-28
Release status:	REL
Processing site:	PDBJ
Derived from:	8GOY