U5U

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S17	C15	sing	0.00Å	1.66Å
S17	PD1	sing	0.00Å	1.84Å
C13	N16	sing	0.00Å	1.46Å
N16	C12	sing	0.00Å	1.46Å
N16	C15	sing	0.00Å	1.34Å
C15	N12	doub	0.00Å	1.24Å
PD1	N11	sing	0.00Å	1.87Å
PD1	N13	sing	0.00Å	1.84Å
N12	N11	sing	0.00Å	1.41Å
N11	C9	doub	0.00Å	1.37Å
N13	C8	doub	0.00Å	1.36Å	Aromatic
N13	C14	sing	0.00Å	1.41Å	Aromatic
C8	C7	sing	0.00Å	1.39Å	Aromatic
C9	C14	sing	0.00Å	1.50Å
C9	C1	sing	0.00Å	1.53Å
C14	C2	doub	0.00Å	1.40Å	Aromatic
C4	C1	doub	0.00Å	1.40Å	Aromatic
C4	C5	sing	0.00Å	1.39Å	Aromatic
C1	C11	sing	0.00Å	1.40Å	Aromatic
C5	C6	doub	0.00Å	1.38Å	Aromatic
C7	C3	doub	0.00Å	1.38Å	Aromatic
C11	C10	doub	0.00Å	1.38Å	Aromatic
C2	C3	sing	0.00Å	1.38Å	Aromatic
C6	C10	sing	0.00Å	1.37Å	Aromatic
C2	H2	sing	0.00Å	1.08Å
C8	H3	sing	0.00Å	1.08Å
C7	H4	sing	0.00Å	1.08Å
C3	H5	sing	0.00Å	1.08Å
C4	H6	sing	0.00Å	1.08Å
C5	H7	sing	0.00Å	1.08Å
C6	H8	sing	0.00Å	1.08Å
C10	H9	sing	0.00Å	1.08Å
C11	H10	sing	0.00Å	1.08Å
C12	H11	sing	0.00Å	1.10Å
C12	H12	sing	0.00Å	1.10Å
C12	H13	sing	0.00Å	1.10Å
C13	H14	sing	0.00Å	1.10Å
C13	H15	sing	0.00Å	1.10Å
C13	H16	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C15	S17	PD1	110.4°	90.0°
S17	C15	N16	126.5°	90.0°
S17	C15	N12	111.9°	90.0°
S17	PD1	N11	83.4°	90.0°
S17	PD1	N13	164.5°	90.0°
C13	N16	C12	115.4°	90.0°
C13	N16	C15	121.2°	90.0°
N16	C13	H14	109.5°	90.0°
N16	C13	H15	109.4°	90.0°
N16	C13	H16	109.5°	90.0°
C12	N16	C15	123.4°	90.0°
N16	C12	H11	109.5°	90.0°
N16	C12	H12	109.5°	90.0°
N16	C12	H13	109.5°	90.0°
N16	C15	N12	121.6°	90.0°
C15	N12	N11	114.9°	90.0°
N11	PD1	N13	81.1°	90.0°
PD1	N11	N12	118.5°	90.0°
PD1	N11	C9	121.1°	90.0°
PD1	N13	C8	122.8°	90.0°
PD1	N13	C14	118.4°	90.0°
N12	N11	C9	120.4°	90.0°
N11	C9	C14	107.4°	90.0°
N11	C9	C1	126.7°	90.0°
C8	N13	C14	118.8°	90.0°
N13	C8	C7	122.4°	90.0°
N13	C8	H3	118.8°	90.0°
N13	C14	C9	110.7°	90.0°
N13	C14	C2	119.1°	90.0°
C8	C7	C3	118.9°	90.0°
C7	C8	H3	118.8°	90.0°
C8	C7	H4	120.6°	90.0°
C14	C9	C1	125.8°	90.0°
C9	C14	C2	129.8°	90.0°
C9	C1	C4	122.9°	90.0°
C9	C1	C11	122.4°	90.0°
C14	C2	C3	120.2°	90.0°
C14	C2	H2	119.9°	90.0°
C1	C4	C5	121.8°	90.0°
C4	C1	C11	114.7°	90.0°
C1	C4	H6	119.1°	90.0°
C4	C5	C6	121.7°	90.0°
C5	C4	H6	119.1°	90.0°
C4	C5	H7	119.1°	90.0°
C1	C11	C10	123.6°	90.0°
C1	C11	H10	118.2°	90.0°
C5	C6	C10	117.7°	90.0°
C6	C5	H7	119.2°	90.0°
C5	C6	H8	121.1°	90.0°
C7	C3	C2	120.5°	90.0°
C3	C7	H4	120.6°	90.0°
C7	C3	H5	119.8°	90.0°
C11	C10	C6	120.4°	90.0°
C11	C10	H9	119.8°	90.0°
C10	C11	H10	118.2°	90.0°
C3	C2	H2	119.9°	90.0°
C2	C3	H5	119.7°	90.0°
C10	C6	H8	121.1°	90.0°
C6	C10	H9	119.8°	90.0°
H11	C12	H12	109.4°	90.0°
H11	C12	H13	109.5°	90.0°
H12	C12	H13	109.5°	90.0°
H14	C13	H15	109.5°	90.0°
H14	C13	H16	109.5°	90.0°
H15	C13	H16	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S17	C15	N16	C13	150.5°	90.0°
S17	C15	N16	C12	31.1°	90.0°
S17	C15	N16	N12	179.1°	90.0°
C15	S17	PD1	N11	6.5°	90.0°
C15	S17	PD1	N13	3.1°	90.0°
S17	C15	N12	N11	3.7°	90.0°
PD1	S17	C15	N16	175.8°	90.0°
PD1	S17	C15	N12	3.4°	90.0°
S17	PD1	N11	N13	179.1°	90.0°
S17	PD1	N11	N12	9.5°	90.0°
S17	PD1	N11	C9	169.6°	90.0°
S17	PD1	N13	C8	169.6°	90.0°
S17	PD1	N13	C14	11.2°	90.0°
C13	N16	C12	C15	178.5°	90.0°
C13	N16	C15	N12	30.4°	90.0°
C13	N16	C12	H11	180.0°	90.0°
C13	N16	C12	H12	60.0°	90.0°
C13	N16	C12	H13	60.0°	90.0°
N16	C13	H14	H15	120.0°	90.0°
N16	C13	H14	H16	120.0°	90.0°
N16	C13	H15	H16	120.0°	90.0°
C12	N16	C15	N12	147.9°	90.0°
N16	C12	H11	H12	120.0°	90.0°
N16	C12	H11	H13	120.0°	90.0°
N16	C12	H12	H13	120.0°	90.0°
C12	N16	C13	H14	180.0°	90.0°
C12	N16	C13	H15	60.0°	90.0°
C12	N16	C13	H16	60.0°	90.0°
N16	C15	N12	N11	177.1°	90.0°
C15	N16	C12	H11	1.5°	90.0°
C15	N16	C12	H12	118.5°	90.0°
C15	N16	C12	H13	121.5°	90.0°
C15	N16	C13	H14	1.5°	90.0°
C15	N16	C13	H15	121.5°	90.0°
C15	N16	C13	H16	118.6°	90.0°
C15	N12	N11	PD1	9.9°	90.0°
C15	N12	N11	C9	169.2°	90.0°
PD1	N11	N12	C9	179.1°	90.0°
N11	PD1	N13	C8	173.0°	90.0°
N11	PD1	N13	C14	7.7°	90.0°
PD1	N11	C9	C14	11.6°	90.0°
PD1	N11	C9	C1	171.3°	90.0°
N13	PD1	N11	N12	169.6°	90.0°
N13	PD1	N11	C9	11.3°	90.0°
PD1	N13	C8	C14	179.3°	90.0°
PD1	N13	C8	C7	179.4°	90.0°
PD1	N13	C14	C9	3.6°	90.0°
PD1	N13	C14	C2	176.9°	90.0°
PD1	N13	C8	H3	0.6°	90.0°
N12	N11	C9	C14	169.4°	90.0°
N12	N11	C9	C1	7.8°	90.0°
N11	C9	C14	N13	4.7°	90.0°
N11	C9	C14	C1	177.2°	90.0°
N11	C9	C14	C2	167.7°	90.0°
N11	C9	C1	C4	0.2°	90.0°
N11	C9	C1	C11	179.3°	90.0°
N13	C8	C7	H3	180.0°	90.0°
C8	N13	C14	C9	177.1°	90.0°
C8	N13	C14	C2	3.8°	90.0°
N13	C8	C7	C3	0.7°	90.0°
N13	C8	C7	H4	179.3°	90.0°
C14	N13	C8	C7	1.3°	90.0°
N13	C14	C9	C2	172.4°	90.0°
N13	C14	C9	C1	178.2°	90.0°
N13	C14	C2	C3	4.2°	90.0°
N13	C14	C2	H2	175.8°	90.0°
C14	N13	C8	H3	178.6°	90.0°
C8	C7	C3	H4	180.0°	90.0°
C8	C7	C3	C2	0.3°	90.0°
C8	C7	C3	H5	179.7°	90.0°
C14	C9	C1	C4	176.9°	90.0°
C14	C9	C1	C11	4.1°	90.0°
C9	C14	C2	C3	176.0°	90.0°
C9	C14	C2	H2	3.9°	90.0°
C1	C9	C14	C2	9.4°	90.0°
C9	C1	C4	C11	179.1°	90.0°
C9	C1	C4	C5	179.3°	90.0°
C9	C1	C11	C10	179.4°	90.0°
C9	C1	C4	H6	0.7°	90.0°
C9	C1	C11	H10	0.6°	90.0°
C14	C2	C3	C7	2.2°	90.0°
C14	C2	C3	H2	180.0°	90.0°
C14	C2	C3	H5	177.8°	90.0°
C1	C4	C5	H6	180.0°	90.0°
C1	C4	C5	C6	0.1°	90.0°
C4	C1	C11	C10	0.2°	90.0°
C1	C4	C5	H7	180.0°	90.0°
C4	C1	C11	H10	179.8°	90.0°
C5	C4	C1	C11	0.1°	90.0°
C4	C5	C6	H7	180.0°	90.0°
C4	C5	C6	C10	0.1°	90.0°
C4	C5	C6	H8	179.9°	90.0°
C1	C11	C10	H10	180.0°	90.0°
C1	C11	C10	C6	0.3°	90.0°
C11	C1	C4	H6	179.9°	90.0°
C1	C11	C10	H9	179.7°	90.0°
C5	C6	C10	C11	0.2°	90.0°
C5	C6	C10	H8	180.0°	90.0°
C6	C5	C4	H6	179.9°	90.0°
C5	C6	C10	H9	179.8°	90.0°
C7	C3	C2	H5	180.0°	90.0°
C7	C3	C2	H2	177.8°	90.0°
C3	C7	C8	H3	179.3°	90.0°
C11	C10	C6	H9	180.0°	90.0°
C11	C10	C6	H8	179.8°	90.0°
C2	C3	C7	H4	179.7°	90.0°
C10	C6	C5	H7	179.9°	90.0°
C6	C10	C11	H10	179.7°	90.0°
H2	C2	C3	H5	2.2°	90.0°
H3	C8	C7	H4	0.7°	90.0°
H4	C7	C3	H5	0.3°	90.0°
H6	C4	C5	H7	0.0°	90.0°
H7	C5	C6	H8	0.1°	90.0°
H8	C6	C10	H9	0.2°	90.0°
H9	C10	C11	H10	0.3°	90.0°
H11	C12	H12	H13	120.0°	90.0°
H14	C13	H15	H16	120.0°	90.0°

Release date:	2024-05-01
Definition date:	2023-05-17
Last modified:	2024-04-26
Release status:	REL
Processing site:	PDBJ
Derived from:	8J8E