R7L

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.38Å	1.39Å	Aromatic
C1	C6	sing	1.39Å	1.41Å	Aromatic
C17	O5	sing	1.43Å	1.45Å
C15	O4	sing	1.43Å	1.42Å
C2	C3	sing	1.38Å	1.40Å	Aromatic
O5	C6	sing	1.36Å	1.38Å
C6	C5	doub	1.39Å	1.42Å	Aromatic
O4	C10	sing	1.36Å	1.40Å
C11	C10	doub	1.38Å	1.41Å	Aromatic
C11	C12	sing	1.39Å	1.40Å	Aromatic
C10	C8	sing	1.40Å	1.40Å	Aromatic
C3	C4	doub	1.39Å	1.40Å	Aromatic
C14	C12	sing	1.51Å	1.48Å
C14	N3	sing	1.47Å	1.44Å
C5	C4	sing	1.39Å	1.41Å	Aromatic
C5	S1	sing	1.76Å	1.82Å
C12	C13	doub	1.38Å	1.41Å	Aromatic
O1	S1	doub	1.42Å	1.45Å
N1	C7	sing	1.39Å	1.39Å
N1	S1	sing	1.66Å	1.59Å
C4	O6	sing	1.36Å	1.39Å
C8	C7	sing	1.47Å	1.41Å	Aromatic
C8	C9	doub	1.40Å	1.38Å	Aromatic
C20	N3	sing	1.35Å	1.37Å	Aromatic
C20	C19	doub	1.35Å	1.37Å	Aromatic
C7	N2	doub	1.30Å	1.34Å	Aromatic
S1	O2	doub	1.42Å	1.45Å
N3	N4	sing	1.40Å	1.35Å	Aromatic
C13	C9	sing	1.39Å	1.40Å	Aromatic
C9	O3	sing	1.35Å	1.36Å	Aromatic
O6	C16	sing	1.43Å	1.45Å
N2	O3	sing	1.41Å	1.40Å	Aromatic
C19	C18	sing	1.40Å	1.41Å	Aromatic
N4	C18	doub	1.31Å	1.34Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C1	H1	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C19	H19	sing	1.08Å	1.08Å
C13	H6	sing	1.08Å	1.08Å
C11	H5	sing	1.08Å	1.08Å
C18	H18	sing	1.08Å	1.08Å
C20	H20	sing	1.08Å	1.08Å
C17	H15	sing	1.09Å	1.10Å
C17	H16	sing	1.09Å	1.10Å
C17	H17	sing	1.09Å	1.10Å
C16	H12	sing	1.09Å	1.10Å
C16	H13	sing	1.09Å	1.10Å
C16	H14	sing	1.09Å	1.10Å
C15	H9	sing	1.09Å	1.10Å
C15	H10	sing	1.09Å	1.10Å
C15	H11	sing	1.09Å	1.10Å
C14	H8	sing	1.09Å	1.10Å
C14	H7	sing	1.09Å	1.10Å
N1	H4	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	119.3°	120.1°
C1	C2	C3	120.7°	120.1°
C1	C2	H2	119.6°	120.0°
C2	C1	H1	120.4°	120.0°
C1	C6	O5	118.5°	120.0°
C1	C6	C5	121.1°	120.0°
C6	C1	H1	120.3°	120.0°
C17	O5	C6	111.2°	117.0°
O5	C17	H15	109.5°	109.5°
O5	C17	H16	109.4°	109.5°
O5	C17	H17	109.5°	109.5°
C15	O4	C10	112.7°	117.0°
O4	C15	H9	109.5°	109.5°
O4	C15	H10	109.5°	109.5°
O4	C15	H11	109.5°	109.4°
C2	C3	C4	120.0°	120.0°
C3	C2	H2	119.7°	119.9°
C2	C3	H3	120.0°	120.0°
O5	C6	C5	120.3°	120.0°
C6	C5	C4	118.3°	119.9°
C6	C5	S1	123.5°	120.1°
O4	C10	C11	125.9°	120.2°
O4	C10	C8	114.9°	120.2°
C10	C11	C12	120.1°	120.2°
C11	C10	C8	119.2°	119.6°
C10	C11	H5	119.9°	119.9°
C11	C12	C14	113.1°	119.6°
C11	C12	C13	122.2°	120.7°
C12	C11	H5	120.0°	119.9°
C10	C8	C7	135.1°	133.7°
C10	C8	C9	118.7°	119.9°
C3	C4	C5	120.5°	120.0°
C3	C4	O6	120.6°	120.0°
C4	C3	H3	120.0°	120.0°
C12	C14	N3	115.7°	109.5°
C14	C12	C13	124.7°	119.7°
C12	C14	H8	107.9°	109.5°
C12	C14	H7	107.9°	109.4°
C14	N3	C20	124.4°	126.0°
C14	N3	N4	120.6°	126.0°
N3	C14	H8	107.9°	109.5°
N3	C14	H7	107.9°	109.4°
C4	C5	S1	118.2°	120.0°
C5	C4	O6	118.9°	120.0°
C5	S1	O1	97.7°	106.4°
C5	S1	N1	114.4°	107.3°
C5	S1	O2	106.3°	106.4°
C12	C13	C9	115.2°	120.1°
C12	C13	H6	122.4°	120.0°
O1	S1	N1	114.3°	106.4°
O1	S1	O2	112.0°	123.1°
C7	N1	S1	121.9°	120.0°
N1	C7	C8	123.9°	126.4°
N1	C7	N2	125.5°	126.3°
C7	N1	H4	106.3°	119.9°
N1	S1	O2	111.2°	106.4°
S1	N1	H4	106.3°	120.1°
C4	O6	C16	114.6°	117.0°
C7	C8	C9	106.2°	106.5°
C8	C7	N2	110.5°	107.2°
C8	C9	C13	124.6°	119.6°
C8	C9	O3	107.0°	107.2°
N3	C20	C19	104.8°	107.8°
C20	N3	N4	114.7°	107.9°
N3	C20	H20	127.6°	126.1°
C20	C19	C18	105.5°	107.9°
C20	C19	H19	127.3°	126.1°
C19	C20	H20	127.6°	126.1°
C7	N2	O3	105.7°	109.6°
N3	N4	C18	102.7°	108.2°
C13	C9	O3	128.4°	133.3°
C9	C13	H6	122.4°	119.9°
C9	O3	N2	110.6°	109.5°
O6	C16	H12	109.5°	109.4°
O6	C16	H13	109.5°	109.5°
O6	C16	H14	109.5°	109.5°
C19	C18	N4	112.2°	108.2°
C18	C19	H19	127.3°	126.0°
C19	C18	H18	123.9°	125.9°
N4	C18	H18	123.9°	125.9°
H15	C17	H16	109.4°	109.5°
H15	C17	H17	109.5°	109.5°
H16	C17	H17	109.5°	109.5°
H12	C16	H13	109.5°	109.5°
H12	C16	H14	109.4°	109.5°
H13	C16	H14	109.5°	109.5°
H9	C15	H10	109.4°	109.5°
H9	C15	H11	109.5°	109.5°
H10	C15	H11	109.5°	109.5°
H8	C14	H7	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	H1	180.0°	179.9°
C1	C2	C3	H2	180.0°	179.7°
C2	C1	C6	O5	179.9°	179.9°
C2	C1	C6	C5	2.3°	0.0°
C1	C2	C3	C4	2.1°	0.2°
C1	C2	C3	H3	178.0°	179.7°
C1	C6	O5	C17	37.7°	0.1°
C6	C1	C2	C3	0.7°	0.0°
C1	C6	O5	C5	177.9°	179.9°
C1	C6	C5	C4	3.8°	0.2°
C1	C6	C5	S1	176.0°	180.0°
C6	C1	C2	H2	179.3°	179.7°
C17	O5	C6	C5	144.4°	180.0°
O5	C17	H15	H16	120.0°	120.0°
O5	C17	H15	H17	120.0°	120.0°
O5	C17	H16	H17	120.0°	120.0°
C15	O4	C10	C11	12.7°	0.0°
C15	O4	C10	C8	167.7°	179.7°
O4	C15	H9	H10	120.0°	120.0°
O4	C15	H9	H11	120.0°	120.0°
O4	C15	H10	H11	120.0°	120.0°
C2	C3	C4	H3	180.0°	179.9°
C2	C3	C4	C5	0.4°	0.5°
C2	C3	C4	O6	178.9°	180.0°
C3	C2	C1	H1	179.3°	179.9°
O5	C6	C5	C4	178.4°	179.7°
O5	C6	C5	S1	1.8°	0.1°
O5	C6	C1	H1	0.1°	0.0°
C6	O5	C17	H15	180.0°	60.0°
C6	O5	C17	H16	60.0°	180.0°
C6	O5	C17	H17	60.0°	60.1°
C6	C5	C4	C3	2.4°	0.5°
C6	C5	C4	S1	179.9°	179.8°
C6	C5	S1	O1	122.4°	156.5°
C6	C5	S1	N1	1.2°	90.0°
C6	C5	C4	O6	178.2°	180.0°
C6	C5	S1	O2	121.9°	23.6°
C5	C6	C1	H1	177.7°	179.9°
O4	C10	C11	C8	179.6°	179.7°
O4	C10	C11	C12	179.9°	180.0°
O4	C10	C8	C7	1.0°	0.4°
O4	C10	C8	C9	179.3°	179.7°
O4	C10	C11	H5	0.1°	0.3°
C10	O4	C15	H9	180.0°	180.0°
C10	O4	C15	H10	60.0°	60.0°
C10	O4	C15	H11	60.0°	60.0°
C10	C11	C12	H5	180.0°	179.7°
C10	C11	C12	C14	179.9°	180.0°
C10	C11	C12	C13	0.9°	0.0°
C11	C10	C8	C7	179.3°	179.8°
C11	C10	C8	C9	0.3°	0.5°
C12	C11	C10	C8	0.5°	0.3°
C11	C12	C14	C13	179.1°	180.0°
C11	C12	C14	N3	159.2°	90.0°
C11	C12	C13	C9	0.6°	0.0°
C11	C12	C13	H6	179.4°	179.8°
C11	C12	C14	H8	79.9°	150.0°
C11	C12	C14	H7	38.3°	30.0°
C10	C8	C7	N1	3.8°	0.7°
C10	C8	C7	C9	179.7°	179.4°
C10	C8	C7	N2	179.5°	179.4°
C10	C8	C9	C13	0.7°	0.5°
C10	C8	C9	O3	179.4°	179.5°
C8	C10	C11	H5	179.5°	179.9°
C3	C4	C5	O6	179.3°	179.5°
C3	C4	C5	S1	177.4°	179.8°
C3	C4	O6	C16	15.2°	0.0°
C4	C3	C2	H2	177.9°	180.0°
C12	C14	N3	H8	120.9°	120.0°
C12	C14	N3	H7	120.9°	119.9°
C12	C14	N3	C20	123.6°	125.0°
C12	C14	N3	N4	62.3°	54.7°
C14	C12	C13	C9	179.6°	180.0°
C14	C12	C13	H6	0.4°	0.2°
C14	C12	C11	H5	0.1°	0.3°
C12	C14	H8	H7	117.2°	120.0°
N3	C14	C12	C13	21.7°	90.0°
C14	N3	C20	N4	174.5°	179.7°
C14	N3	C20	C19	174.9°	180.0°
C14	N3	N4	C18	175.1°	179.9°
C14	N3	C20	H20	5.1°	0.3°
N3	C14	H8	H7	117.2°	120.0°
C4	C5	S1	O1	57.5°	23.3°
C4	C5	S1	N1	178.6°	90.3°
C4	C5	S1	O2	58.2°	156.2°
C5	C4	O6	C16	165.4°	179.5°
C5	C4	C3	H3	179.6°	179.4°
C5	S1	O1	N1	121.3°	114.2°
C5	S1	O1	O2	111.1°	123.0°
C5	S1	N1	C7	71.7°	65.0°
C5	S1	N1	O2	120.4°	113.6°
S1	C5	C4	O6	1.9°	0.3°
C5	S1	N1	H4	166.6°	114.9°
C12	C13	C9	C8	0.2°	0.2°
C12	C13	C9	H6	180.0°	179.8°
C12	C13	C9	O3	178.7°	179.7°
C13	C12	C11	H5	179.0°	179.7°
C13	C12	C14	H8	99.2°	30.0°
C13	C12	C14	H7	142.6°	150.0°
O1	S1	N1	C7	176.8°	48.6°
O1	S1	N1	O2	128.1°	132.8°
O1	S1	N1	H4	55.1°	131.5°
C7	N1	S1	H4	121.7°	179.9°
N1	C7	C8	N2	176.7°	180.0°
N1	C7	C8	C9	176.6°	180.0°
C7	N1	S1	O2	48.7°	178.6°
N1	C7	N2	O3	176.7°	180.0°
S1	N1	C7	C8	178.8°	180.0°
S1	N1	C7	N2	5.0°	0.0°
O6	C4	C3	H3	1.1°	0.1°
C4	O6	C16	H12	180.0°	60.0°
C4	O6	C16	H13	60.0°	60.0°
C4	O6	C16	H14	60.0°	180.0°
C7	C8	C9	C13	179.0°	180.0°
C7	C8	C9	O3	0.3°	0.0°
C8	C7	N2	O3	0.0°	0.0°
C8	C7	N1	H4	57.1°	0.0°
C9	C8	C7	N2	0.2°	0.0°
C8	C9	C13	O3	178.4°	179.9°
C8	C9	O3	N2	0.4°	0.1°
C8	C9	C13	H6	179.7°	180.0°
N3	C20	C19	H20	180.0°	179.7°
N3	C20	C19	C18	0.3°	0.0°
C20	N3	N4	C18	0.4°	0.4°
N3	C20	C19	H19	179.7°	179.7°
C20	N3	C14	H8	2.7°	5.0°
C20	N3	C14	H7	115.5°	115.1°
C19	C20	N3	N4	0.5°	0.2°
C20	C19	C18	H19	180.0°	179.8°
C20	C19	C18	N4	0.1°	0.2°
C20	C19	C18	H18	179.9°	179.7°
C7	N2	O3	C9	0.2°	0.1°
N2	C7	N1	H4	126.7°	179.9°
O2	S1	N1	H4	73.0°	1.4°
N3	N4	C18	C19	0.2°	0.3°
N3	N4	C18	H18	179.8°	179.6°
N4	N3	C20	H20	179.5°	180.0°
N4	N3	C14	H8	176.8°	174.7°
N4	N3	C14	H7	58.6°	65.2°
C13	C9	O3	N2	179.0°	180.0°
O3	C9	C13	H6	1.3°	0.1°
O6	C16	H12	H13	120.0°	120.0°
O6	C16	H12	H14	120.0°	120.0°
O6	C16	H13	H14	120.0°	120.0°
C19	C18	N4	H18	180.0°	179.9°
C18	C19	C20	H20	179.7°	179.8°
N4	C18	C19	H19	179.9°	180.0°
H2	C2	C1	H1	0.7°	0.3°
H2	C2	C3	H3	2.0°	0.0°
H19	C19	C18	H18	0.1°	0.0°
H19	C19	C20	H20	0.3°	0.0°
H15	C17	H16	H17	120.0°	120.0°
H12	C16	H13	H14	120.0°	120.0°
H9	C15	H10	H11	120.0°	120.0°

Release date:	2023-07-05
Definition date:	2022-06-22
Last modified:	2023-06-30
Release status:	REL
Processing site:	RCSB
Derived from:	8DD5