WDY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	C12	doub	1.38Å	1.39Å	Aromatic
C13	C14	sing	1.40Å	1.40Å	Aromatic
C16	C14	sing	1.46Å	1.42Å	Aromatic
C16	N4	doub	1.30Å	1.32Å	Aromatic
C12	C11	sing	1.38Å	1.39Å	Aromatic
C14	C15	doub	1.41Å	1.41Å	Aromatic
N4	N3	sing	1.40Å	1.37Å	Aromatic
C11	C10	doub	1.39Å	1.40Å	Aromatic
C15	N3	sing	1.36Å	1.35Å	Aromatic
C15	C10	sing	1.41Å	1.41Å	Aromatic
C10	C	sing	1.47Å	1.50Å
C	O	doub	1.22Å	1.23Å
C	N	sing	1.35Å	1.36Å
N	C1	sing	1.40Å	1.42Å
C1	C9	doub	1.39Å	1.39Å	Aromatic
C1	C2	sing	1.39Å	1.39Å	Aromatic
C9	C8	sing	1.38Å	1.39Å	Aromatic
C2	C3	doub	1.39Å	1.39Å	Aromatic
C8	C7	doub	1.38Å	1.39Å	Aromatic
C3	C7	sing	1.39Å	1.39Å	Aromatic
C3	C4	sing	1.48Å	1.47Å
N2	C4	doub	1.32Å	1.35Å	Aromatic
N2	N1	sing	1.40Å	1.36Å	Aromatic
C4	C5	sing	1.41Å	1.38Å	Aromatic
N1	C6	sing	1.35Å	1.33Å	Aromatic
C5	C6	doub	1.35Å	1.39Å	Aromatic
N1	H1	sing	0.97Å	1.00Å
N3	H2	sing	0.97Å	1.00Å
C5	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.08Å	1.08Å
C7	H5	sing	1.08Å	1.08Å
C8	H6	sing	1.08Å	1.08Å
C13	H7	sing	1.08Å	1.08Å
N	H8	sing	0.97Å	1.00Å
C11	H9	sing	1.08Å	1.08Å
C12	H10	sing	1.08Å	1.08Å
C16	H11	sing	1.08Å	1.08Å
C2	H12	sing	1.08Å	1.08Å
C9	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	C13	C14	120.2°	120.0°
C13	C12	C11	120.6°	120.7°
C12	C13	H7	119.9°	120.0°
C13	C12	H10	119.7°	119.6°
C13	C14	C16	136.8°	133.8°
C13	C14	C15	119.1°	119.9°
C14	C13	H7	119.9°	120.0°
C14	C16	N4	111.5°	107.7°
C16	C14	C15	104.1°	106.3°
C14	C16	H11	124.2°	126.2°
C16	N4	N3	106.1°	110.0°
N4	C16	H11	124.3°	126.1°
C12	C11	C10	120.7°	120.5°
C12	C11	H9	119.6°	119.7°
C11	C12	H10	119.7°	119.7°
C14	C15	N3	106.8°	106.8°
C14	C15	C10	120.8°	119.4°
N4	N3	C15	111.5°	109.2°
N4	N3	H2	124.2°	125.4°
C11	C10	C15	118.7°	119.6°
C11	C10	C	119.6°	120.2°
C10	C11	H9	119.7°	119.8°
N3	C15	C10	132.5°	133.8°
C15	N3	H2	124.2°	125.4°
C15	C10	C	121.6°	120.2°
C10	C	O	120.6°	120.0°
C10	C	N	115.6°	120.0°
O	C	N	123.9°	120.0°
C	N	C1	128.1°	120.0°
C	N	H8	116.0°	120.0°
N	C1	C9	120.2°	120.0°
N	C1	C2	120.0°	120.0°
C1	N	H8	115.9°	120.0°
C9	C1	C2	119.8°	120.0°
C1	C9	C8	119.8°	120.1°
C1	C9	H13	120.1°	119.9°
C1	C2	C3	120.4°	119.8°
C1	C2	H12	119.8°	120.1°
C9	C8	C7	120.3°	120.2°
C9	C8	H6	119.8°	119.9°
C8	C9	H13	120.1°	120.0°
C2	C3	C7	119.3°	119.9°
C2	C3	C4	119.7°	120.1°
C3	C2	H12	119.8°	120.1°
C8	C7	C3	120.3°	120.0°
C8	C7	H5	119.8°	120.0°
C7	C8	H6	119.9°	119.9°
C7	C3	C4	121.0°	120.0°
C3	C7	H5	119.9°	120.0°
C3	C4	N2	123.1°	126.0°
C3	C4	C5	130.2°	126.0°
C4	N2	N1	111.4°	108.2°
N2	C4	C5	106.7°	107.9°
N2	N1	C6	105.4°	108.1°
N2	N1	H1	127.3°	126.0°
C4	C5	C6	105.2°	107.8°
C4	C5	H3	127.4°	126.1°
N1	C6	C5	111.3°	108.0°
C6	N1	H1	127.3°	125.9°
N1	C6	H4	124.3°	126.0°
C6	C5	H3	127.4°	126.1°
C5	C6	H4	124.4°	126.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C13	C14	H7	180.0°	180.0°
C12	C13	C14	C16	178.2°	180.0°
C13	C12	C11	H10	180.0°	179.9°
C12	C13	C14	C15	0.6°	0.0°
C13	C12	C11	C10	0.2°	0.0°
C13	C12	C11	H9	179.8°	180.0°
C13	C14	C16	C15	178.9°	179.9°
C13	C14	C16	N4	178.6°	179.7°
C14	C13	C12	C11	1.0°	0.0°
C13	C14	C15	N3	178.8°	180.0°
C13	C14	C15	C10	1.0°	0.0°
C14	C13	C12	H10	179.0°	179.9°
C13	C14	C16	H11	1.4°	0.0°
C14	C16	N4	H11	180.0°	179.7°
C14	C16	N4	N3	0.1°	0.4°
C16	C14	C15	N3	0.4°	0.0°
C16	C14	C15	C10	179.8°	180.0°
C16	C14	C13	H7	1.8°	0.1°
N4	C16	C14	C15	0.3°	0.2°
C16	N4	N3	C15	0.1°	0.4°
C16	N4	N3	H2	179.8°	179.9°
C12	C11	C10	H9	180.0°	180.0°
C12	C11	C10	C15	1.7°	0.0°
C12	C11	C10	C	174.8°	180.0°
C11	C12	C13	H7	179.0°	180.0°
C14	C15	N3	N4	0.3°	0.2°
C14	C15	C10	C11	2.1°	0.0°
C14	C15	N3	C10	179.7°	180.0°
C14	C15	C10	C	174.3°	180.0°
C14	C15	N3	H2	179.6°	179.9°
C15	C14	C13	H7	179.4°	180.0°
C15	C14	C16	H11	179.7°	180.0°
N4	N3	C15	H2	180.0°	179.7°
N4	N3	C15	C10	179.9°	179.7°
N3	N4	C16	H11	179.9°	179.9°
C11	C10	C15	N3	177.6°	180.0°
C11	C10	C15	C	176.4°	180.0°
C11	C10	C	O	10.8°	180.0°
C11	C10	C	N	169.0°	0.0°
C10	C11	C12	H10	179.8°	179.9°
N3	C15	C10	C	6.0°	0.0°
C15	C10	C	O	172.8°	0.0°
C15	C10	C	N	7.4°	180.0°
C10	C15	N3	H2	0.1°	0.1°
C15	C10	C11	H9	178.3°	180.0°
C10	C	O	N	179.7°	180.0°
C10	C	N	C1	173.1°	174.7°
C10	C	N	H8	6.9°	5.3°
C	C10	C11	H9	5.2°	0.0°
O	C	N	C1	7.2°	5.3°
O	C	N	H8	172.9°	174.7°
C	N	C1	H8	180.0°	180.0°
C	N	C1	C9	150.9°	146.7°
C	N	C1	C2	31.7°	33.5°
N	C1	C9	C2	177.4°	179.8°
N	C1	C9	C8	176.9°	180.0°
N	C1	C2	C3	176.8°	180.0°
N	C1	C2	H12	3.1°	0.0°
N	C1	C9	H13	3.1°	0.3°
C1	C9	C8	H13	180.0°	179.7°
C9	C1	C2	C3	0.5°	0.2°
C1	C9	C8	C7	0.2°	0.0°
C1	C9	C8	H6	179.8°	180.0°
C9	C1	N	H8	29.1°	33.3°
C9	C1	C2	H12	179.5°	179.8°
C2	C1	C9	C8	0.5°	0.2°
C1	C2	C3	H12	180.0°	180.0°
C1	C2	C3	C7	0.2°	0.0°
C1	C2	C3	C4	179.7°	180.0°
C2	C1	N	H8	148.3°	146.5°
C2	C1	C9	H13	179.5°	180.0°
C9	C8	C7	H6	180.0°	179.9°
C9	C8	C7	C3	0.1°	0.2°
C9	C8	C7	H5	179.9°	180.0°
C2	C3	C7	C8	0.1°	0.2°
C2	C3	C7	C4	179.5°	180.0°
C2	C3	C4	N2	33.1°	0.5°
C2	C3	C4	C5	146.2°	179.9°
C2	C3	C7	H5	179.9°	180.0°
C8	C7	C3	H5	180.0°	179.8°
C8	C7	C3	C4	179.4°	179.8°
C7	C8	C9	H13	179.8°	179.8°
C7	C3	C4	N2	146.4°	179.5°
C7	C3	C4	C5	34.3°	0.1°
C3	C7	C8	H6	179.9°	179.7°
C7	C3	C2	H12	179.8°	180.0°
C3	C4	N2	C5	179.4°	179.5°
C3	C4	N2	N1	179.3°	179.8°
C3	C4	C5	C6	179.3°	180.0°
C3	C4	C5	H3	0.7°	0.1°
C4	C3	C7	H5	0.6°	0.0°
C4	C3	C2	H12	0.3°	0.0°
C4	N2	N1	C6	0.0°	0.1°
N2	C4	C5	C6	0.1°	0.4°
C4	N2	N1	H1	180.0°	179.7°
N2	C4	C5	H3	179.9°	179.6°
N1	N2	C4	C5	0.0°	0.3°
N2	N1	C6	H1	180.0°	179.8°
N2	N1	C6	C5	0.1°	0.2°
N2	N1	C6	H4	180.0°	179.8°
C4	C5	C6	N1	0.1°	0.4°
C4	C5	C6	H3	180.0°	179.9°
C4	C5	C6	H4	179.9°	179.6°
N1	C6	C5	H4	180.0°	180.0°
N1	C6	C5	H3	179.9°	179.7°
C5	C6	N1	H1	179.9°	180.0°
H1	N1	C6	H4	0.1°	0.0°
H3	C5	C6	H4	0.1°	0.3°
H5	C7	C8	H6	0.1°	0.1°
H6	C8	C9	H13	0.2°	0.3°
H7	C13	C12	H10	1.0°	0.1°
H9	C11	C12	H10	0.1°	0.1°

Release date:	2021-05-05
Definition date:	2020-10-19
Last modified:	2021-04-30
Release status:	REL
Processing site:	RCSB
Derived from:	7KGW