JV5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C5	doub	1.38Å	1.39Å	Aromatic
C4	C3	sing	1.38Å	1.38Å	Aromatic
C5	C6	sing	1.39Å	1.39Å	Aromatic
C3	C2	doub	1.38Å	1.38Å	Aromatic
C7	C8	sing	1.51Å	1.51Å
C7	O	sing	1.43Å	1.42Å
C6	C1	doub	1.39Å	1.39Å	Aromatic
C6	O	sing	1.36Å	1.37Å
C2	C1	sing	1.38Å	1.39Å	Aromatic
O1	C8	doub	1.21Å	1.23Å
C8	N	sing	1.35Å	1.35Å
C1	C	sing	1.51Å	1.51Å
N	C9	sing	1.40Å	1.41Å
C14	C9	doub	1.38Å	1.39Å	Aromatic
C14	C13	sing	1.40Å	1.39Å	Aromatic
C9	C10	sing	1.39Å	1.40Å	Aromatic
C13	N3	sing	1.35Å	1.36Å	Aromatic
C13	C12	doub	1.41Å	1.39Å	Aromatic
N3	N2	doub	1.29Å	1.35Å	Aromatic
C10	C11	doub	1.37Å	1.38Å	Aromatic
C12	C11	sing	1.39Å	1.39Å	Aromatic
C12	N1	sing	1.37Å	1.38Å	Aromatic
N2	N1	sing	1.29Å	1.31Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C10	H5	sing	1.08Å	1.08Å
C2	H6	sing	1.08Å	1.08Å
C3	H7	sing	1.08Å	1.08Å
N	H8	sing	0.97Å	1.00Å
C	H9	sing	1.09Å	1.10Å
C	H10	sing	1.09Å	1.10Å
C	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.08Å	1.08Å
C14	H13	sing	1.08Å	1.08Å
N1	H14	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	C4	C3	120.2°	120.1°
C4	C5	C6	119.0°	119.9°
C5	C4	H1	119.9°	119.9°
C4	C5	H2	120.5°	120.0°
C4	C3	C2	120.2°	120.1°
C3	C4	H1	119.9°	119.9°
C4	C3	H7	119.9°	120.0°
C5	C6	C1	121.9°	119.9°
C5	C6	O	124.3°	120.0°
C6	C5	H2	120.5°	120.1°
C3	C2	C1	121.1°	120.1°
C3	C2	H6	119.5°	119.9°
C2	C3	H7	119.9°	119.9°
C8	C7	O	107.0°	109.5°
C7	C8	O1	120.1°	120.0°
C7	C8	N	114.8°	120.0°
C8	C7	H3	110.1°	109.5°
C8	C7	H4	110.1°	109.5°
C7	O	C6	118.3°	117.0°
O	C7	H3	110.1°	109.4°
O	C7	H4	110.1°	109.4°
C1	C6	O	113.8°	120.0°
C6	C1	C2	117.6°	119.9°
C6	C1	C	121.1°	120.1°
C2	C1	C	121.2°	120.0°
C1	C2	H6	119.5°	120.0°
O1	C8	N	125.2°	120.0°
C8	N	C9	129.1°	120.0°
C8	N	H8	115.4°	120.0°
C1	C	H9	109.5°	109.4°
C1	C	H10	109.5°	109.5°
C1	C	H11	109.5°	109.5°
N	C9	C14	122.6°	119.8°
N	C9	C10	117.1°	119.8°
C9	N	H8	115.4°	120.0°
C9	C14	C13	118.7°	119.5°
C14	C9	C10	120.3°	120.4°
C9	C14	H13	120.7°	120.3°
C14	C13	N3	134.7°	134.8°
C14	C13	C12	121.0°	119.6°
C13	C14	H13	120.6°	120.3°
C9	C10	C11	120.7°	120.6°
C9	C10	H5	119.6°	119.7°
N3	C13	C12	104.4°	105.6°
C13	N3	N2	110.4°	109.2°
C13	C12	C11	120.2°	119.9°
C13	C12	N1	108.5°	105.2°
N3	N2	N1	109.0°	111.8°
C10	C11	C12	119.1°	120.0°
C11	C10	H5	119.7°	119.7°
C10	C11	H12	120.4°	120.0°
C11	C12	N1	131.3°	134.8°
C12	C11	H12	120.5°	120.0°
C12	N1	N2	107.7°	108.1°
C12	N1	H14	126.2°	125.9°
N2	N1	H14	126.1°	125.9°
H3	C7	H4	109.5°	109.5°
H9	C	H10	109.4°	109.5°
H9	C	H11	109.5°	109.4°
H10	C	H11	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C5	C4	C3	H1	180.0°	179.7°
C4	C5	C6	H2	180.0°	179.9°
C5	C4	C3	C2	0.5°	0.0°
C4	C5	C6	C1	0.1°	0.0°
C4	C5	C6	O	179.9°	179.9°
C5	C4	C3	H7	179.5°	180.0°
C3	C4	C5	C6	0.9°	0.0°
C4	C3	C2	H7	180.0°	180.0°
C4	C3	C2	C1	0.8°	0.0°
C3	C4	C5	H2	179.1°	179.9°
C4	C3	C2	H6	179.1°	180.0°
C5	C6	O	C7	17.1°	0.0°
C5	C6	C1	O	180.0°	180.0°
C5	C6	C1	C2	1.4°	0.0°
C5	C6	C1	C	175.3°	180.0°
C6	C5	C4	H1	179.1°	179.7°
C3	C2	C1	C6	1.8°	0.0°
C3	C2	C1	H6	180.0°	180.0°
C3	C2	C1	C	174.9°	180.0°
C2	C3	C4	H1	179.5°	179.7°
C8	C7	O	H3	119.6°	120.0°
C8	C7	O	H4	119.6°	119.9°
C8	C7	O	C6	160.2°	180.0°
C7	C8	O1	N	179.9°	179.9°
C7	C8	N	C9	175.1°	174.7°
C8	C7	H3	H4	121.1°	120.1°
C7	C8	N	H8	4.9°	5.4°
C7	O	C6	C1	162.9°	180.0°
O	C7	C8	O1	172.4°	0.1°
O	C7	C8	N	7.6°	180.0°
O	C7	H3	H4	121.1°	119.9°
C6	C1	C2	C	176.7°	179.9°
C1	C6	C5	H2	179.9°	180.0°
C6	C1	C2	H6	178.2°	180.0°
C6	C1	C	H9	91.7°	90.0°
C6	C1	C	H10	148.3°	150.0°
C6	C1	C	H11	28.3°	30.0°
O	C6	C1	C2	178.6°	179.9°
O	C6	C1	C	4.7°	0.0°
O	C6	C5	H2	0.1°	0.0°
C6	O	C7	H3	80.2°	60.0°
C6	O	C7	H4	40.5°	60.1°
C1	C2	C3	H7	179.2°	180.0°
C2	C1	C	H9	91.7°	90.1°
C2	C1	C	H10	28.3°	29.9°
C2	C1	C	H11	148.3°	149.9°
O1	C8	N	C9	5.0°	5.2°
O1	C8	C7	H3	52.8°	119.9°
O1	C8	C7	H4	68.0°	119.9°
O1	C8	N	H8	175.0°	174.7°
C8	N	C9	H8	180.0°	179.9°
C8	N	C9	C14	1.0°	146.5°
C8	N	C9	C10	179.8°	33.5°
N	C8	C7	H3	127.2°	60.0°
N	C8	C7	H4	112.0°	60.1°
C	C1	C2	H6	5.1°	0.1°
C1	C	H9	H10	120.0°	120.0°
C1	C	H9	H11	120.0°	120.0°
C1	C	H10	H11	120.0°	120.0°
N	C9	C14	C10	179.2°	180.0°
N	C9	C14	C13	179.4°	180.0°
N	C9	C10	C11	179.1°	180.0°
N	C9	C10	H5	0.9°	0.3°
N	C9	C14	H13	0.6°	0.1°
C9	C14	C13	H13	180.0°	179.9°
C9	C14	C13	N3	179.4°	179.5°
C9	C14	C13	C12	0.3°	0.3°
C14	C9	C10	C11	0.1°	0.1°
C14	C9	C10	H5	179.9°	179.7°
C14	C9	N	H8	179.0°	33.4°
C13	C14	C9	C10	0.2°	0.1°
C14	C13	N3	C12	179.7°	179.3°
C14	C13	N3	N2	179.8°	179.3°
C14	C13	C12	C11	0.0°	0.5°
C14	C13	C12	N1	179.9°	179.4°
C9	C10	C11	H5	180.0°	179.7°
C9	C10	C11	C12	0.4°	0.3°
C10	C9	N	H8	0.2°	146.6°
C9	C10	C11	H12	179.6°	179.6°
C10	C9	C14	H13	179.8°	179.9°
N3	C13	C12	C11	179.7°	180.0°
N3	C13	C12	N1	0.1°	0.0°
C13	N3	N2	N1	0.0°	0.0°
N3	C13	C14	H13	0.7°	0.6°
C12	C13	N3	N2	0.1°	0.0°
C13	C12	C11	C10	0.3°	0.5°
C13	C12	C11	N1	179.8°	180.0°
C13	C12	N1	N2	0.1°	0.0°
C13	C12	C11	H12	179.7°	179.4°
C12	C13	C14	H13	179.7°	179.8°
C13	C12	N1	H14	179.9°	180.0°
N3	N2	N1	C12	0.1°	0.0°
N3	N2	N1	H14	179.9°	180.0°
C10	C11	C12	H12	180.0°	180.0°
C10	C11	C12	N1	179.5°	179.4°
C11	C12	N1	N2	179.7°	180.0°
C12	C11	C10	H5	179.6°	180.0°
C11	C12	N1	H14	0.3°	0.0°
C12	N1	N2	H14	180.0°	180.0°
N1	C12	C11	H12	0.5°	0.6°
H1	C4	C5	H2	0.9°	0.3°
H1	C4	C3	H7	0.5°	0.3°
H5	C10	C11	H12	0.4°	0.0°
H6	C2	C3	H7	0.9°	0.0°
H9	C	H10	H11	120.0°	120.0°

Release date:	2019-05-08
Definition date:	2019-04-02
Last modified:	2019-05-03
Release status:	REL
Processing site:	RCSB
Derived from:	6R8Q