ON6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C7	doub	0.00Å	1.25Å
C7	N1	sing	0.00Å	1.33Å
C7	C8	sing	0.00Å	1.49Å
N1	C2	sing	0.00Å	1.34Å
C9	C8	doub	0.00Å	1.49Å
C9	C10	sing	0.00Å	1.48Å
C11	C12	doub	0.00Å	1.39Å	Aromatic
C11	C10	sing	0.00Å	1.39Å	Aromatic
C8	S2	sing	0.00Å	1.68Å
O6	S1	doub	0.00Å	1.44Å
C12	C13	sing	0.00Å	1.38Å	Aromatic
C10	C15	doub	0.00Å	1.39Å	Aromatic
C3	C2	sing	0.00Å	1.41Å	Aromatic
C3	C4	doub	0.00Å	1.40Å	Aromatic
C2	C1	doub	0.00Å	1.40Å	Aromatic
S1	C4	sing	0.00Å	1.63Å
S1	O5	doub	0.00Å	1.44Å
S1	C16	sing	0.00Å	1.66Å
C4	C5	sing	0.00Å	1.40Å	Aromatic
C13	O2	sing	0.00Å	1.35Å
C13	C14	doub	0.00Å	1.39Å	Aromatic
C1	S2	sing	0.00Å	1.72Å
C1	C6	sing	0.00Å	1.39Å	Aromatic
C15	C14	sing	0.00Å	1.39Å	Aromatic
C14	N2	sing	0.00Å	1.40Å
C16	C20	sing	0.00Å	1.33Å
C5	C6	doub	0.00Å	1.41Å	Aromatic
CL2	C21	sing	0.00Å	1.80Å
C20	C21	doub	0.00Å	1.52Å	Aromatic
C20	C19	sing	0.00Å	1.38Å	Aromatic
N2	O4	doub	0.00Å	1.22Å
N2	O3	sing	0.00Å	1.21Å
CL1	C19	sing	0.00Å	1.80Å
C21	C22	sing	0.00Å	1.39Å	Aromatic
C19	C18	doub	0.00Å	1.42Å	Aromatic
C22	C17	doub	0.00Å	1.40Å	Aromatic
C18	C17	sing	0.00Å	1.39Å	Aromatic
C15	H5	sing	0.00Å	1.08Å
O2	H13	sing	0.00Å	0.95Å
C12	H4	sing	0.00Å	1.08Å
C11	H3	sing	0.00Å	1.08Å
C9	H12	sing	0.00Å	1.08Å
N1	H6	sing	0.00Å	1.00Å
C3	H1	sing	0.00Å	1.08Å
C6	H2	sing	0.00Å	1.08Å
C5	H14	sing	0.00Å	1.08Å
C16	H10	sing	0.00Å	1.10Å
C16	H11	sing	0.00Å	1.10Å
C22	H9	sing	0.00Å	1.08Å
C17	H7	sing	0.00Å	1.08Å
C18	H8	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C7	N1	115.2°	90.0°
O1	C7	C8	119.4°	90.0°
N1	C7	C8	122.0°	90.0°
C7	N1	C2	123.8°	90.0°
C7	N1	H6	118.1°	90.0°
C7	C8	C9	116.8°	90.0°
C7	C8	S2	118.4°	90.0°
N1	C2	C3	113.9°	90.0°
N1	C2	C1	121.4°	90.0°
C2	N1	H6	118.1°	90.0°
C8	C9	C10	128.3°	90.0°
C9	C8	S2	124.3°	90.0°
C8	C9	H12	115.8°	90.0°
C9	C10	C11	115.9°	90.0°
C9	C10	C15	126.2°	90.0°
C10	C9	H12	115.9°	90.0°
C12	C11	C10	121.4°	90.0°
C11	C12	C13	119.9°	90.0°
C11	C12	H4	120.1°	90.0°
C12	C11	H3	119.3°	90.0°
C11	C10	C15	117.9°	90.0°
C10	C11	H3	119.3°	90.0°
C8	S2	C1	105.9°	90.0°
O6	S1	C4	111.3°	90.0°
O6	S1	O5	109.3°	90.0°
O6	S1	C16	110.2°	90.0°
C12	C13	O2	119.5°	90.0°
C12	C13	C14	119.7°	90.0°
C13	C12	H4	120.0°	90.0°
C10	C15	C14	121.0°	90.0°
C10	C15	H5	119.5°	90.0°
C2	C3	C4	121.7°	90.0°
C3	C2	C1	120.7°	90.0°
C2	C3	H1	119.1°	90.0°
C3	C4	S1	121.9°	90.0°
C3	C4	C5	117.1°	90.0°
C4	C3	H1	119.1°	90.0°
C2	C1	S2	121.3°	90.0°
C2	C1	C6	118.0°	90.0°
C4	S1	O5	106.4°	90.0°
C4	S1	C16	108.9°	90.0°
S1	C4	C5	121.1°	90.0°
O5	S1	C16	110.7°	90.0°
S1	C16	C20	115.6°	90.0°
S1	C16	H10	107.9°	90.0°
S1	C16	H11	107.9°	90.0°
C4	C5	C6	121.5°	90.0°
C4	C5	H14	119.2°	90.0°
O2	C13	C14	120.8°	90.0°
C13	O2	H13	109.5°	90.0°
C13	C14	C15	120.1°	90.0°
C13	C14	N2	121.7°	90.0°
S2	C1	C6	120.3°	90.0°
C1	C6	C5	121.0°	90.0°
C1	C6	H2	119.5°	90.0°
C15	C14	N2	118.3°	90.0°
C14	C15	H5	119.5°	90.0°
C14	N2	O4	120.1°	90.0°
C14	N2	O3	122.3°	90.0°
C16	C20	C21	132.4°	90.0°
C16	C20	C19	110.0°	90.0°
C20	C16	H10	107.9°	90.0°
C20	C16	H11	107.9°	90.0°
C5	C6	H2	119.5°	90.0°
C6	C5	H14	119.3°	90.0°
CL2	C21	C20	121.7°	90.0°
CL2	C21	C22	118.7°	90.0°
C21	C20	C19	117.5°	90.0°
C20	C21	C22	119.6°	90.0°
C20	C19	CL1	118.9°	90.0°
C20	C19	C18	119.8°	90.0°
O4	N2	O3	117.6°	90.0°
CL1	C19	C18	121.0°	90.0°
C21	C22	C17	120.8°	90.0°
C21	C22	H9	119.6°	90.0°
C19	C18	C17	122.4°	90.0°
C19	C18	H8	118.8°	90.0°
C22	C17	C18	119.7°	90.0°
C17	C22	H9	119.6°	90.0°
C22	C17	H7	120.2°	90.0°
C18	C17	H7	120.2°	90.0°
C17	C18	H8	118.8°	90.0°
H10	C16	H11	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C7	N1	C8	158.9°	90.0°
O1	C7	N1	C2	169.2°	90.0°
O1	C7	C8	C9	15.2°	90.0°
O1	C7	C8	S2	172.6°	90.0°
O1	C7	N1	H6	10.8°	90.0°
C7	N1	C2	H6	180.0°	90.0°
N1	C7	C8	C9	173.2°	90.0°
N1	C7	C8	S2	14.6°	90.0°
C7	N1	C2	C3	169.6°	90.0°
C7	N1	C2	C1	32.7°	90.0°
C8	C7	N1	C2	31.9°	90.0°
C7	C8	C9	S2	171.7°	90.0°
C7	C8	C9	C10	169.9°	90.0°
C7	C8	S2	C1	0.8°	90.0°
C7	C8	C9	H12	10.1°	90.0°
C8	C7	N1	H6	148.1°	90.0°
N1	C2	C3	C1	157.9°	90.0°
N1	C2	C3	C4	157.0°	90.0°
N1	C2	C1	S2	16.3°	90.0°
N1	C2	C1	C6	156.1°	90.0°
N1	C2	C3	H1	23.0°	90.0°
C8	C9	C10	H12	180.0°	90.0°
C8	C9	C10	C11	168.5°	90.0°
C8	C9	C10	C15	12.8°	90.0°
C9	C8	S2	C1	172.4°	90.0°
C9	C10	C11	C12	178.6°	90.0°
C9	C10	C11	C15	178.8°	90.0°
C10	C9	C8	S2	18.5°	90.0°
C9	C10	C15	C14	179.9°	90.0°
C9	C10	C15	H5	0.1°	90.0°
C9	C10	C11	H3	1.4°	90.0°
C12	C11	C10	H3	180.0°	90.0°
C11	C12	C13	H4	180.0°	90.0°
C12	C11	C10	C15	2.6°	90.0°
C11	C12	C13	O2	180.0°	90.0°
C11	C12	C13	C14	0.8°	90.0°
C10	C11	C12	C13	2.3°	90.0°
C11	C10	C15	C14	1.4°	90.0°
C11	C10	C15	H5	178.5°	90.0°
C10	C11	C12	H4	177.7°	90.0°
C11	C10	C9	H12	11.5°	90.0°
C8	S2	C1	C2	1.7°	90.0°
C8	S2	C1	C6	170.6°	90.0°
S2	C8	C9	H12	161.6°	90.0°
O6	S1	C4	C3	8.1°	90.0°
O6	S1	C4	O5	119.0°	90.0°
O6	S1	C4	C16	121.6°	90.0°
O6	S1	O5	C16	121.6°	90.0°
O6	S1	C4	C5	172.4°	90.0°
O6	S1	C16	C20	132.7°	90.0°
O6	S1	C16	H10	11.8°	90.0°
O6	S1	C16	H11	106.4°	90.0°
C12	C13	O2	C14	179.2°	90.0°
C12	C13	C14	C15	0.3°	90.0°
C12	C13	C14	N2	179.2°	90.0°
C12	C13	O2	H13	180.0°	90.0°
C13	C12	C11	H3	177.7°	90.0°
C10	C15	C14	C13	0.0°	90.0°
C10	C15	C14	H5	180.0°	90.0°
C10	C15	C14	N2	179.6°	90.0°
C15	C10	C11	H3	177.4°	90.0°
C15	C10	C9	H12	167.2°	90.0°
C2	C3	C4	H1	180.0°	90.0°
C2	C3	C4	S1	179.5°	90.0°
C2	C3	C4	C5	1.1°	90.0°
C3	C2	C1	S2	172.5°	90.0°
C3	C2	C1	C6	0.1°	90.0°
C3	C2	N1	H6	10.4°	90.0°
C4	C3	C2	C1	0.9°	90.0°
C3	C4	S1	C5	179.4°	90.0°
C3	C4	S1	O5	110.9°	90.0°
C3	C4	S1	C16	129.8°	90.0°
C3	C4	C5	C6	0.5°	90.0°
C3	C4	C5	H14	179.5°	90.0°
C2	C1	S2	C6	172.2°	90.0°
C2	C1	C6	C5	0.5°	90.0°
C1	C2	N1	H6	147.2°	90.0°
C1	C2	C3	H1	179.1°	90.0°
C2	C1	C6	H2	179.5°	90.0°
C4	S1	O5	C16	118.1°	90.0°
C4	S1	C16	C20	104.9°	90.0°
S1	C4	C5	C6	180.0°	90.0°
S1	C4	C3	H1	0.5°	90.0°
S1	C4	C5	H14	0.0°	90.0°
C4	S1	C16	H10	134.2°	90.0°
C4	S1	C16	H11	16.0°	90.0°
O5	S1	C4	C5	68.5°	90.0°
O5	S1	C16	C20	11.6°	90.0°
O5	S1	C16	H10	109.3°	90.0°
O5	S1	C16	H11	132.6°	90.0°
C16	S1	C4	C5	50.8°	90.0°
S1	C16	C20	H10	120.9°	90.0°
S1	C16	C20	H11	120.9°	90.0°
S1	C16	C20	C21	47.9°	90.0°
S1	C16	C20	C19	127.4°	90.0°
S1	C16	H10	H11	117.2°	90.0°
C4	C5	C6	C1	0.3°	90.0°
C4	C5	C6	H14	180.0°	90.0°
C5	C4	C3	H1	178.9°	90.0°
C4	C5	C6	H2	179.7°	90.0°
O2	C13	C14	C15	178.9°	90.0°
O2	C13	C14	N2	1.6°	90.0°
O2	C13	C12	H4	0.0°	90.0°
C13	C14	C15	N2	179.5°	90.0°
C13	C14	N2	O4	161.0°	90.0°
C13	C14	N2	O3	20.3°	90.0°
C13	C14	C15	H5	179.9°	90.0°
C14	C13	O2	H13	0.9°	90.0°
C14	C13	C12	H4	179.2°	90.0°
S2	C1	C6	C5	172.0°	90.0°
S2	C1	C6	H2	8.0°	90.0°
C1	C6	C5	H2	180.0°	90.0°
C1	C6	C5	H14	179.7°	90.0°
C15	C14	N2	O4	19.5°	90.0°
C15	C14	N2	O3	159.2°	90.0°
C14	N2	O4	O3	178.8°	90.0°
N2	C14	C15	H5	0.4°	90.0°
C16	C20	C21	CL2	1.6°	90.0°
C16	C20	C21	C19	174.9°	90.0°
C16	C20	C19	CL1	4.5°	90.0°
C16	C20	C21	C22	176.9°	90.0°
C16	C20	C19	C18	178.2°	90.0°
C20	C16	H10	H11	117.2°	90.0°
CL2	C21	C20	C22	178.6°	90.0°
CL2	C21	C20	C19	176.6°	90.0°
CL2	C21	C22	C17	179.6°	90.0°
CL2	C21	C22	H9	0.4°	90.0°
C21	C20	C19	CL1	179.5°	90.0°
C21	C20	C19	C18	5.8°	90.0°
C20	C21	C22	C17	1.0°	90.0°
C21	C20	C16	H10	73.0°	90.0°
C21	C20	C16	H11	168.8°	90.0°
C20	C21	C22	H9	179.0°	90.0°
C20	C19	CL1	C18	173.7°	90.0°
C19	C20	C21	C22	2.0°	90.0°
C20	C19	C18	C17	7.0°	90.0°
C19	C20	C16	H10	111.7°	90.0°
C19	C20	C16	H11	6.5°	90.0°
C20	C19	C18	H8	173.0°	90.0°
CL1	C19	C18	C17	179.3°	90.0°
CL1	C19	C18	H8	0.6°	90.0°
C21	C22	C17	H9	180.0°	90.0°
C21	C22	C17	C18	0.0°	90.0°
C21	C22	C17	H7	180.0°	90.0°
C19	C18	C17	C22	4.0°	90.0°
C19	C18	C17	H8	180.0°	90.0°
C19	C18	C17	H7	176.0°	90.0°
C22	C17	C18	H7	180.0°	90.0°
C22	C17	C18	H8	176.1°	90.0°
C18	C17	C22	H9	180.0°	90.0°
H4	C12	C11	H3	2.3°	90.0°
H2	C6	C5	H14	0.3°	90.0°
H9	C22	C17	H7	0.0°	90.0°
H7	C17	C18	H8	4.0°	90.0°

Release date:	2021-08-11
Definition date:	2020-12-16
Last modified:	2021-08-06
Release status:	REL
Processing site:	RCSB
Derived from:	7L1X