L6A

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C6	doub	1.22Å	1.24Å
N3	C6	sing	1.35Å	1.33Å
C6	C5	sing	1.48Å	1.50Å
C5	C4	doub	1.39Å	1.37Å	Aromatic
C5	C7	sing	1.42Å	1.41Å	Aromatic
C4	C3	sing	1.40Å	1.41Å	Aromatic
C12	C11	doub	1.38Å	1.38Å	Aromatic
C12	C13	sing	1.38Å	1.39Å	Aromatic
C11	C10	sing	1.38Å	1.38Å	Aromatic
C14	C13	sing	1.51Å	1.51Å
C14	O1	sing	1.43Å	1.42Å
C13	C15	doub	1.38Å	1.39Å	Aromatic
C10	C9	doub	1.39Å	1.39Å	Aromatic
C15	C9	sing	1.39Å	1.40Å	Aromatic
C9	C7	sing	1.48Å	1.49Å
C7	C8	doub	1.38Å	1.38Å	Aromatic
N	C	sing	1.38Å	1.34Å
C3	C	doub	1.42Å	1.44Å	Aromatic
C3	C2	sing	1.42Å	1.41Å	Aromatic
C	N1	sing	1.33Å	1.34Å	Aromatic
C8	C2	sing	1.40Å	1.41Å	Aromatic
C2	N2	doub	1.34Å	1.38Å	Aromatic
N1	C1	doub	1.32Å	1.33Å	Aromatic
N2	C1	sing	1.31Å	1.32Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C4	H2	sing	1.08Å	1.08Å
C12	H3	sing	1.08Å	1.08Å
C14	H4	sing	1.09Å	1.10Å
C14	H5	sing	1.09Å	1.10Å
O1	H6	sing	0.97Å	0.95Å
N	H7	sing	0.97Å	1.00Å
N	H8	sing	0.97Å	1.00Å
C10	H9	sing	1.08Å	1.08Å
C11	H10	sing	1.08Å	1.08Å
C15	H11	sing	1.08Å	1.08Å
C8	H12	sing	1.08Å	1.08Å
N3	H13	sing	0.97Å	1.00Å
N3	H14	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C6	N3	122.5°	120.0°
O	C6	C5	120.2°	120.0°
N3	C6	C5	117.3°	120.0°
C6	N3	H13	120.0°	120.1°
C6	N3	H14	120.0°	120.0°
C6	C5	C4	114.8°	119.9°
C6	C5	C7	124.2°	119.8°
C4	C5	C7	121.0°	120.3°
C5	C4	C3	120.9°	119.6°
C5	C4	H2	119.5°	120.2°
C5	C7	C9	123.1°	119.8°
C5	C7	C8	118.7°	120.4°
C4	C3	C	125.5°	121.7°
C4	C3	C2	118.4°	120.1°
C3	C4	H2	119.5°	120.2°
C11	C12	C13	120.7°	120.3°
C12	C11	C10	120.2°	120.1°
C11	C12	H3	119.7°	119.8°
C12	C11	H10	119.9°	119.9°
C12	C13	C14	120.9°	120.0°
C12	C13	C15	118.6°	120.1°
C13	C12	H3	119.7°	119.9°
C11	C10	C9	120.6°	119.9°
C11	C10	H9	119.7°	120.1°
C10	C11	H10	119.9°	120.0°
C13	C14	O1	112.2°	109.5°
C14	C13	C15	120.5°	119.9°
C13	C14	H4	108.8°	109.5°
C13	C14	H5	108.8°	109.5°
O1	C14	H4	108.8°	109.5°
O1	C14	H5	108.8°	109.4°
C14	O1	H6	109.5°	114.0°
C13	C15	C9	121.7°	119.9°
C13	C15	H11	119.1°	120.1°
C10	C9	C15	118.2°	119.8°
C10	C9	C7	121.1°	120.1°
C9	C10	H9	119.7°	120.1°
C15	C9	C7	120.6°	120.2°
C9	C15	H11	119.1°	120.1°
C9	C7	C8	118.2°	119.7°
C7	C8	C2	121.2°	119.7°
C7	C8	H12	119.4°	120.1°
N	C	C3	121.4°	120.9°
N	C	N1	118.0°	120.9°
C	N	H7	109.5°	120.0°
C	N	H8	109.5°	120.0°
C	C3	C2	116.1°	118.1°
C3	C	N1	120.6°	118.2°
C3	C2	C8	119.8°	119.8°
C3	C2	N2	122.5°	118.6°
C	N1	C1	117.5°	121.5°
C8	C2	N2	117.7°	121.6°
C2	C8	H12	119.4°	120.1°
C2	N2	C1	114.7°	120.6°
N1	C1	N2	128.7°	123.0°
N1	C1	H1	115.7°	118.5°
N2	C1	H1	115.6°	118.5°
H4	C14	H5	109.5°	109.4°
H7	N	H8	109.5°	120.0°
H13	N3	H14	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C6	N3	C5	178.7°	180.0°
O	C6	C5	C4	147.4°	173.7°
O	C6	C5	C7	31.9°	6.3°
O	C6	N3	H13	0.0°	180.0°
O	C6	N3	H14	180.0°	0.0°
N3	C6	C5	C4	31.3°	6.4°
N3	C6	C5	C7	149.4°	173.6°
C6	N3	H13	H14	180.0°	180.0°
C6	C5	C4	C7	179.3°	180.0°
C6	C5	C4	C3	178.6°	180.0°
C6	C5	C7	C9	3.1°	0.0°
C6	C5	C7	C8	178.0°	179.5°
C6	C5	C4	H2	1.4°	0.0°
C5	C6	N3	H13	178.7°	0.0°
C5	C6	N3	H14	1.3°	180.0°
C5	C4	C3	H2	180.0°	180.0°
C4	C5	C7	C9	177.6°	180.0°
C4	C5	C7	C8	1.2°	0.5°
C5	C4	C3	C	179.9°	180.0°
C5	C4	C3	C2	0.2°	0.3°
C7	C5	C4	C3	0.7°	0.0°
C5	C7	C9	C10	60.9°	60.9°
C5	C7	C9	C15	120.8°	119.1°
C5	C7	C9	C8	178.8°	179.5°
C5	C7	C8	C2	0.8°	0.7°
C7	C5	C4	H2	179.3°	180.0°
C5	C7	C8	H12	179.2°	180.0°
C4	C3	C	N	1.2°	0.2°
C4	C3	C	C2	179.9°	179.8°
C4	C3	C	N1	179.5°	180.0°
C4	C3	C2	C8	0.6°	0.1°
C4	C3	C2	N2	179.6°	180.0°
C11	C12	C13	H3	180.0°	179.7°
C12	C11	C10	H10	180.0°	180.0°
C11	C12	C13	C14	178.0°	180.0°
C11	C12	C13	C15	0.4°	0.0°
C12	C11	C10	C9	0.1°	0.0°
C12	C11	C10	H9	179.9°	180.0°
C13	C12	C11	C10	0.0°	0.0°
C12	C13	C14	C15	178.4°	179.9°
C12	C13	C14	O1	57.9°	90.0°
C12	C13	C15	C9	0.7°	0.0°
C12	C13	C14	H4	62.5°	150.0°
C12	C13	C14	H5	178.3°	30.0°
C13	C12	C11	H10	180.0°	180.0°
C12	C13	C15	H11	179.3°	180.0°
C11	C10	C9	H9	180.0°	180.0°
C11	C10	C9	C15	0.2°	0.0°
C11	C10	C9	C7	178.1°	180.0°
C10	C11	C12	H3	180.0°	179.7°
C13	C14	O1	H4	120.4°	120.1°
C13	C14	O1	H5	120.4°	120.0°
C14	C13	C15	C9	177.7°	180.0°
C14	C13	C12	H3	2.0°	0.2°
C13	C14	H4	H5	118.8°	120.0°
C13	C14	O1	H6	180.0°	180.0°
C14	C13	C15	H11	2.3°	0.1°
O1	C14	C13	C15	120.4°	90.0°
O1	C14	H4	H5	118.8°	120.0°
C13	C15	C9	C10	0.6°	0.0°
C13	C15	C9	H11	180.0°	180.0°
C13	C15	C9	C7	177.7°	180.0°
C15	C13	C12	H3	179.6°	179.7°
C15	C13	C14	H4	119.2°	30.1°
C15	C13	C14	H5	0.1°	150.1°
C10	C9	C15	C7	178.3°	180.0°
C10	C9	C7	C8	117.9°	119.6°
C9	C10	C11	H10	179.9°	180.0°
C10	C9	C15	H11	179.4°	180.0°
C15	C9	C7	C8	60.4°	60.4°
C15	C9	C10	H9	179.8°	180.0°
C9	C7	C8	C2	178.1°	179.8°
C7	C9	C10	H9	1.9°	0.0°
C7	C9	C15	H11	2.3°	0.0°
C9	C7	C8	H12	1.9°	0.5°
C7	C8	C2	C3	0.1°	0.5°
C7	C8	C2	H12	180.0°	179.2°
C7	C8	C2	N2	179.9°	179.4°
N	C	C3	N1	179.3°	179.8°
N	C	C3	C2	178.9°	180.0°
N	C	N1	C1	179.0°	179.8°
C	N	H7	H8	120.0°	179.9°
C	C3	C2	C8	179.5°	179.8°
C	C3	C2	N2	0.3°	0.3°
C3	C	N1	C1	0.3°	0.0°
C	C3	C4	H2	0.1°	0.0°
C3	C	N	H7	179.3°	0.1°
C3	C	N	H8	60.6°	180.0°
C2	C3	C	N1	0.4°	0.2°
C3	C2	C8	N2	179.8°	179.9°
C3	C2	N2	C1	0.1°	0.1°
C2	C3	C4	H2	179.8°	179.8°
C3	C2	C8	H12	179.9°	179.7°
C	N1	C1	N2	0.1°	0.3°
C	N1	C1	H1	179.9°	180.0°
N1	C	N	H7	0.0°	179.7°
N1	C	N	H8	120.0°	0.2°
C8	C2	N2	C1	179.7°	180.0°
C2	N2	C1	N1	0.0°	0.2°
C2	N2	C1	H1	180.0°	180.0°
N2	C2	C8	H12	0.1°	0.2°
N1	C1	N2	H1	180.0°	179.8°
H3	C12	C11	H10	0.0°	0.3°
H4	C14	O1	H6	59.6°	59.9°
H5	C14	O1	H6	59.6°	60.0°
H9	C10	C11	H10	0.1°	0.0°

Release date:	2022-10-05
Definition date:	2022-06-20
Last modified:	2022-09-30
Release status:	REL
Processing site:	PDBE
Derived from:	8A5X