UYW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C14	C13	doub	1.38Å	1.38Å	Aromatic
C14	C	sing	1.38Å	1.37Å	Aromatic
CL	C	sing	1.74Å	1.74Å
C13	C3	sing	1.38Å	1.39Å	Aromatic
C	C1	doub	1.38Å	1.37Å	Aromatic
C3	C4	sing	1.51Å	1.51Å
C3	C2	doub	1.38Å	1.39Å	Aromatic
C1	C2	sing	1.38Å	1.38Å	Aromatic
C6	C7	doub	1.38Å	1.39Å	Aromatic
C6	C5	sing	1.38Å	1.39Å	Aromatic
C7	C8	sing	1.38Å	1.38Å	Aromatic
C4	O	sing	1.43Å	1.44Å
C5	O	sing	1.36Å	1.38Å
C5	C10	doub	1.40Å	1.40Å	Aromatic
C8	C9	doub	1.38Å	1.39Å	Aromatic
C9	C10	sing	1.40Å	1.40Å	Aromatic
C10	C11	sing	1.47Å	1.46Å
C11	N	doub	1.30Å	1.28Å
N	N1	sing	1.40Å	1.38Å
N1	C12	sing	1.37Å	1.35Å
C12	N2	doub	1.33Å	1.32Å
C12	N3	sing	1.33Å	1.32Å
N1	H11	sing	0.97Å	1.00Å
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
N2	H1	sing	0.97Å	1.00Å
C9	H9	sing	1.08Å	1.08Å
C1	H2	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
N3	H12	sing	0.97Å	1.00Å
N3	H13	sing	0.97Å	1.00Å
C4	H4	sing	1.09Å	1.10Å
C4	H5	sing	1.09Å	1.10Å
C2	H3	sing	1.08Å	1.08Å
C11	H10	sing	1.08Å	1.08Å
C13	H14	sing	1.08Å	1.08Å
C14	H15	sing	1.08Å	1.08Å
N2	H	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C13	C14	C	119.0°	120.1°
C14	C13	C3	121.2°	120.0°
C14	C13	H14	119.4°	120.0°
C13	C14	H15	120.5°	120.0°
C14	C	CL	119.4°	120.0°
C14	C	C1	121.3°	119.9°
C	C14	H15	120.5°	119.9°
CL	C	C1	119.3°	120.0°
C13	C3	C4	121.1°	120.0°
C13	C3	C2	118.2°	120.0°
C3	C13	H14	119.4°	120.0°
C	C1	C2	119.1°	120.0°
C	C1	H2	120.5°	120.0°
C4	C3	C2	120.7°	120.0°
C3	C4	O	110.7°	109.4°
C3	C4	H4	109.1°	109.4°
C3	C4	H5	109.1°	109.5°
C3	C2	C1	121.2°	120.0°
C3	C2	H3	119.4°	120.0°
C2	C1	H2	120.5°	120.0°
C1	C2	H3	119.4°	120.0°
C7	C6	C5	119.8°	120.1°
C6	C7	C8	120.3°	120.3°
C6	C7	H7	119.9°	119.8°
C7	C6	H6	120.1°	119.9°
C6	C5	O	124.2°	120.2°
C6	C5	C10	120.5°	119.7°
C5	C6	H6	120.1°	119.9°
C7	C8	C9	120.3°	120.3°
C8	C7	H7	119.8°	119.9°
C7	C8	H8	119.8°	119.9°
C4	O	C5	119.5°	117.0°
O	C4	H4	109.2°	109.5°
O	C4	H5	109.2°	109.5°
O	C5	C10	115.3°	120.1°
C5	C10	C9	118.5°	119.6°
C5	C10	C11	120.8°	120.2°
C8	C9	C10	120.5°	119.9°
C9	C8	H8	119.9°	119.9°
C8	C9	H9	119.8°	120.1°
C9	C10	C11	120.6°	120.1°
C10	C9	H9	119.7°	120.0°
C10	C11	N	120.6°	119.9°
C10	C11	H10	119.7°	120.1°
C11	N	N1	116.2°	120.0°
N	C11	H10	119.7°	120.0°
N	N1	C12	118.3°	120.0°
N	N1	H11	120.8°	120.0°
N1	C12	N2	120.2°	120.0°
N1	C12	N3	118.9°	120.0°
C12	N1	H11	120.9°	120.0°
N2	C12	N3	120.9°	120.0°
C12	N2	H1	120.0°	120.1°
C12	N2	H	120.0°	120.0°
C12	N3	H12	120.0°	120.0°
C12	N3	H13	120.0°	120.0°
H1	N2	H	120.0°	120.0°
H12	N3	H13	120.0°	120.0°
H4	C4	H5	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C13	C14	C	H15	180.0°	179.7°
C13	C14	C	CL	176.4°	180.0°
C14	C13	C3	H14	180.0°	179.9°
C13	C14	C	C1	0.7°	0.1°
C14	C13	C3	C4	178.1°	179.9°
C14	C13	C3	C2	0.1°	0.5°
C14	C	CL	C1	177.2°	179.9°
C	C14	C13	C3	0.3°	0.3°
C14	C	C1	C2	0.9°	0.0°
C14	C	C1	H2	179.1°	179.8°
C	C14	C13	H14	179.7°	179.7°
CL	C	C1	C2	176.2°	180.0°
CL	C	C1	H2	3.8°	0.2°
CL	C	C14	H15	3.6°	0.3°
C13	C3	C4	C2	178.2°	179.5°
C13	C3	C2	C1	0.3°	0.5°
C13	C3	C4	O	85.8°	89.5°
C13	C3	C4	H4	154.0°	30.5°
C13	C3	C4	H5	34.4°	150.5°
C13	C3	C2	H3	179.7°	179.5°
C3	C13	C14	H15	179.7°	180.0°
C	C1	C2	C3	0.7°	0.2°
C	C1	C2	H2	180.0°	179.8°
C	C1	C2	H3	179.3°	179.7°
C1	C	C14	H15	179.3°	179.8°
C4	C3	C2	C1	177.9°	180.0°
C3	C4	O	H4	120.2°	119.9°
C3	C4	O	H5	120.2°	120.0°
C3	C4	O	C5	96.3°	180.0°
C3	C4	H4	H5	119.4°	120.0°
C4	C3	C2	H3	2.1°	0.1°
C4	C3	C13	H14	1.9°	0.0°
C3	C2	C1	H3	180.0°	180.0°
C2	C3	C4	O	96.0°	90.1°
C3	C2	C1	H2	179.3°	180.0°
C2	C3	C4	H4	24.1°	150.0°
C2	C3	C4	H5	143.8°	30.0°
C2	C3	C13	H14	179.9°	179.5°
C7	C6	C5	H6	180.0°	179.9°
C6	C7	C8	H7	180.0°	179.8°
C7	C6	C5	O	179.1°	179.8°
C7	C6	C5	C10	0.1°	0.5°
C6	C7	C8	C9	0.4°	0.2°
C6	C7	C8	H8	179.6°	179.8°
C5	C6	C7	C8	0.3°	0.0°
C6	C5	O	C4	4.1°	0.8°
C6	C5	O	C10	179.1°	179.2°
C6	C5	C10	C9	0.0°	0.8°
C6	C5	C10	C11	179.2°	179.8°
C5	C6	C7	H7	179.7°	179.7°
C7	C8	C9	H8	180.0°	180.0°
C7	C8	C9	C10	0.2°	0.0°
C7	C8	C9	H9	179.7°	180.0°
C8	C7	C6	H6	179.7°	180.0°
C4	O	C5	C10	174.9°	180.0°
O	C4	H4	H5	119.4°	120.0°
O	C5	C10	C9	179.1°	180.0°
O	C5	C10	C11	1.7°	0.5°
O	C5	C6	H6	0.9°	0.3°
C5	O	C4	H4	143.5°	60.1°
C5	O	C4	H5	23.9°	60.0°
C5	C10	C9	C8	0.1°	0.5°
C5	C10	C9	C11	179.2°	179.5°
C5	C10	C11	N	178.1°	0.5°
C5	C10	C9	H9	179.9°	179.5°
C10	C5	C6	H6	179.9°	179.5°
C5	C10	C11	H10	1.9°	179.5°
C8	C9	C10	H9	180.0°	179.9°
C8	C9	C10	C11	179.3°	180.0°
C9	C8	C7	H7	179.6°	180.0°
C9	C10	C11	N	2.7°	180.0°
C10	C9	C8	H8	179.8°	180.0°
C9	C10	C11	H10	177.3°	0.0°
C10	C11	N	H10	180.0°	179.9°
C10	C11	N	N1	175.2°	180.0°
C11	C10	C9	H9	0.7°	0.0°
C11	N	N1	C12	173.6°	180.0°
C11	N	N1	H11	6.5°	0.3°
N	N1	C12	H11	180.0°	179.7°
N	N1	C12	N2	4.0°	0.3°
N	N1	C12	N3	173.5°	179.7°
N1	N	C11	H10	4.8°	0.1°
N1	C12	N2	N3	177.5°	180.0°
N1	C12	N2	H1	177.5°	0.1°
N1	C12	N3	H12	177.5°	0.0°
N1	C12	N3	H13	2.5°	180.0°
N1	C12	N2	H	2.5°	180.0°
N2	C12	N1	H11	176.0°	180.0°
C12	N2	H1	H	180.0°	180.0°
N2	C12	N3	H12	0.0°	180.0°
N2	C12	N3	H13	180.0°	0.0°
N3	C12	N1	H11	6.5°	0.0°
N3	C12	N2	H1	0.0°	180.0°
C12	N3	H12	H13	180.0°	180.0°
N3	C12	N2	H	180.0°	0.0°
H7	C7	C8	H8	0.4°	0.0°
H7	C7	C6	H6	0.3°	0.2°
H8	C8	C9	H9	0.3°	0.0°
H2	C1	C2	H3	0.7°	0.0°
H14	C13	C14	H15	0.3°	0.0°

Release date:	2021-09-01
Definition date:	2021-03-30
Last modified:	2021-08-27
Release status:	REL
Processing site:	PDBE
Derived from:	7O22