DZO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C2	sing	1.40Å	1.33Å	Aromatic
C4	N3	doub	1.31Å	1.34Å	Aromatic
C3	N4	sing	1.38Å	1.36Å
C3	C5	sing	1.41Å	1.39Å	Aromatic
C3	N1	doub	1.32Å	1.35Å	Aromatic
C2	C1	doub	1.40Å	1.40Å	Aromatic
C2	C6	sing	1.48Å	1.40Å	Aromatic
C1	N1	sing	1.34Å	1.36Å	Aromatic
C1	N2	sing	1.37Å	1.40Å	Aromatic
C10	C12	doub	1.38Å	1.39Å	Aromatic
C10	C9	sing	1.39Å	1.41Å	Aromatic
C12	CL1	sing	1.74Å	1.72Å
C12	C17	sing	1.38Å	1.39Å	Aromatic
C17	C15	doub	1.38Å	1.39Å	Aromatic
C15	C16	sing	1.38Å	1.39Å	Aromatic
C16	C9	doub	1.39Å	1.40Å	Aromatic
C9	N4	sing	1.40Å	1.36Å
C5	C7	doub	1.35Å	1.40Å	Aromatic
C7	N2	sing	1.37Å	1.40Å	Aromatic
N2	N3	sing	1.40Å	1.26Å	Aromatic
C6	C8	doub	1.39Å	1.40Å	Aromatic
C6	C13	sing	1.39Å	1.39Å	Aromatic
C8	C11	sing	1.39Å	1.40Å	Aromatic
C13	C14	doub	1.38Å	1.39Å	Aromatic
C14	C18	sing	1.38Å	1.38Å	Aromatic
C18	C11	doub	1.39Å	1.40Å	Aromatic
C11	N5	sing	1.40Å	1.35Å
C4	H4	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C17	H17	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
N4	HN4	sing	0.97Å	1.00Å
C5	H5	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
C18	H18	sing	1.08Å	1.08Å
N5	HN5	sing	0.97Å	1.00Å
N5	HN5A	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C4	N3	108.9°	108.8°
C4	C2	C1	106.4°	107.2°
C4	C2	C6	129.8°	126.4°
C2	C4	H4	125.5°	125.5°
C4	N3	N2	110.7°	109.3°
N3	C4	H4	125.5°	125.6°
N4	C3	C5	117.1°	120.0°
N4	C3	N1	123.6°	120.0°
C3	N4	C9	128.5°	120.0°
C3	N4	HN4	115.7°	120.1°
C5	C3	N1	119.3°	120.0°
C3	C5	C7	120.2°	119.4°
C3	C5	H5	119.9°	120.3°
C3	N1	C1	121.9°	120.7°
C1	C2	C6	123.6°	126.4°
C2	C1	N1	134.4°	132.4°
C2	C1	N2	104.7°	106.8°
C2	C6	C8	119.2°	120.1°
C2	C6	C13	122.1°	120.1°
N1	C1	N2	120.8°	120.8°
C1	N2	C7	118.2°	119.9°
C1	N2	N3	109.3°	107.9°
C12	C10	C9	120.1°	119.9°
C10	C12	CL1	120.0°	120.0°
C10	C12	C17	120.5°	120.0°
C12	C10	H10	120.0°	120.0°
C10	C9	C16	118.6°	119.9°
C10	C9	N4	124.8°	120.0°
C9	C10	H10	119.9°	120.1°
CL1	C12	C17	119.5°	120.0°
C12	C17	C15	120.3°	120.1°
C12	C17	H17	119.9°	119.9°
C17	C15	C16	119.7°	120.1°
C15	C17	H17	119.9°	119.9°
C17	C15	H15	120.1°	120.0°
C15	C16	C9	120.9°	119.9°
C16	C15	H15	120.2°	119.9°
C15	C16	H16	119.6°	120.0°
C16	C9	N4	116.6°	120.1°
C9	C16	H16	119.6°	120.0°
C9	N4	HN4	115.8°	120.0°
C5	C7	N2	119.6°	119.2°
C7	C5	H5	119.9°	120.3°
C5	C7	H7	120.2°	120.4°
C7	N2	N3	132.5°	132.2°
N2	C7	H7	120.2°	120.4°
C8	C6	C13	118.5°	119.8°
C6	C8	C11	121.0°	119.8°
C6	C8	H8	119.5°	120.1°
C6	C13	C14	121.5°	120.0°
C6	C13	H13	119.2°	120.0°
C8	C11	C18	118.6°	120.0°
C8	C11	N5	122.0°	120.0°
C11	C8	H8	119.5°	120.1°
C13	C14	C18	119.0°	120.2°
C14	C13	H13	119.3°	119.9°
C13	C14	H14	120.5°	119.9°
C14	C18	C11	121.3°	120.2°
C18	C14	H14	120.5°	119.9°
C14	C18	H18	119.3°	119.9°
C18	C11	N5	119.4°	120.0°
C11	C18	H18	119.4°	119.9°
C11	N5	HN5	109.5°	120.0°
C11	N5	HN5A	109.5°	120.0°
HN5	N5	HN5A	109.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C4	N3	H4	180.0°	179.6°
C4	C2	C1	C6	175.3°	180.0°
C4	C2	C1	N1	175.5°	180.0°
C4	C2	C1	N2	0.9°	0.0°
C2	C4	N3	N2	0.8°	0.1°
C4	C2	C6	C8	35.3°	49.9°
C4	C2	C6	C13	150.7°	129.8°
N3	C4	C2	C1	0.1°	0.1°
N3	C4	C2	C6	175.0°	180.0°
C4	N3	N2	C1	1.4°	0.0°
C4	N3	N2	C7	178.9°	180.0°
N4	C3	C5	N1	179.9°	179.9°
N4	C3	N1	C1	178.4°	180.0°
C3	N4	C9	C10	9.3°	146.8°
C3	N4	C9	C16	171.9°	33.2°
C3	N4	C9	HN4	180.0°	179.9°
N4	C3	C5	C7	179.2°	180.0°
N4	C3	C5	H5	0.8°	0.1°
C5	C3	N1	C1	1.5°	0.1°
C5	C3	N4	C9	171.3°	174.5°
C3	C5	C7	H5	180.0°	179.9°
C3	C5	C7	N2	0.7°	0.1°
C5	C3	N4	HN4	8.7°	5.4°
C3	C5	C7	H7	179.3°	179.9°
C3	N1	C1	C2	178.3°	180.0°
C3	N1	C1	N2	2.4°	0.1°
N1	C3	N4	C9	8.8°	5.6°
N1	C3	C5	C7	0.7°	0.2°
N1	C3	N4	HN4	171.2°	174.4°
N1	C3	C5	H5	179.4°	180.0°
C2	C1	N1	N2	175.9°	179.9°
C2	C1	N2	C7	179.3°	180.0°
C2	C1	N2	N3	1.4°	0.0°
C1	C2	C6	C8	138.8°	130.0°
C1	C2	C6	C13	35.2°	50.3°
C1	C2	C4	H4	179.9°	179.7°
C6	C2	C1	N1	0.2°	0.1°
C6	C2	C1	N2	176.1°	180.0°
C2	C6	C8	C13	174.1°	179.7°
C2	C6	C8	C11	176.2°	180.0°
C2	C6	C13	C14	177.2°	180.0°
C6	C2	C4	H4	5.0°	0.3°
C2	C6	C8	H8	3.8°	0.1°
C2	C6	C13	H13	2.8°	0.0°
N1	C1	N2	C7	2.3°	0.0°
N1	C1	N2	N3	175.6°	179.9°
C1	N2	C7	C5	1.5°	0.1°
C1	N2	C7	N3	177.3°	180.0°
C1	N2	C7	H7	178.5°	180.0°
C12	C10	C9	H10	180.0°	179.7°
C10	C12	CL1	C17	179.5°	179.9°
C10	C12	C17	C15	0.9°	0.1°
C12	C10	C9	C16	0.3°	0.0°
C12	C10	C9	N4	179.0°	180.0°
C10	C12	C17	H17	179.1°	180.0°
C9	C10	C12	CL1	179.0°	180.0°
C9	C10	C12	C17	0.5°	0.0°
C10	C9	C16	C15	0.4°	0.1°
C10	C9	C16	N4	178.8°	180.0°
C10	C9	C16	H16	179.6°	180.0°
C10	C9	N4	HN4	170.7°	33.2°
CL1	C12	C17	C15	178.6°	180.0°
CL1	C12	C10	H10	1.1°	0.3°
CL1	C12	C17	H17	1.4°	0.1°
C12	C17	C15	H17	180.0°	179.9°
C12	C17	C15	C16	0.9°	0.0°
C17	C12	C10	H10	179.5°	179.7°
C12	C17	C15	H15	179.1°	179.9°
C17	C15	C16	H15	180.0°	180.0°
C17	C15	C16	C9	0.7°	0.1°
C17	C15	C16	H16	179.3°	180.0°
C15	C16	C9	H16	180.0°	179.9°
C15	C16	C9	N4	179.2°	180.0°
C16	C15	C17	H17	179.0°	179.9°
C16	C9	C10	H10	179.7°	179.7°
C9	C16	C15	H15	179.3°	180.0°
C16	C9	N4	HN4	8.1°	146.8°
N4	C9	C10	H10	1.0°	0.3°
N4	C9	C16	H16	0.8°	0.0°
C5	C7	N2	H7	180.0°	179.9°
C5	C7	N2	N3	175.8°	179.9°
N2	C7	C5	H5	179.3°	180.0°
N2	N3	C4	H4	179.2°	179.7°
N3	N2	C7	H7	4.2°	0.0°
C6	C8	C11	H8	180.0°	179.9°
C8	C6	C13	C14	3.2°	0.3°
C6	C8	C11	C18	1.2°	0.0°
C6	C8	C11	N5	179.2°	180.0°
C8	C6	C13	H13	176.8°	179.7°
C13	C6	C8	C11	2.0°	0.3°
C6	C13	C14	H13	180.0°	180.0°
C6	C13	C14	C18	1.1°	0.0°
C13	C6	C8	H8	177.9°	179.8°
C6	C13	C14	H14	178.9°	180.0°
C8	C11	C18	C14	3.5°	0.3°
C8	C11	C18	N5	178.0°	179.9°
C8	C11	C18	H18	176.5°	179.9°
C8	C11	N5	HN5	158.0°	0.1°
C8	C11	N5	HN5A	82.0°	180.0°
C13	C14	C18	H14	180.0°	180.0°
C13	C14	C18	C11	2.3°	0.3°
C13	C14	C18	H18	177.7°	179.9°
C14	C18	C11	H18	180.0°	179.7°
C14	C18	C11	N5	178.6°	179.7°
C18	C14	C13	H13	178.9°	180.0°
C18	C11	C8	H8	178.8°	180.0°
C11	C18	C14	H14	177.7°	179.7°
C18	C11	N5	HN5	19.9°	180.0°
C18	C11	N5	HN5A	100.1°	0.1°
N5	C11	C8	H8	0.9°	0.1°
N5	C11	C18	H18	1.4°	0.0°
C11	N5	HN5	HN5A	120.0°	179.9°
H17	C17	C15	H15	0.9°	0.0°
H15	C15	C16	H16	0.7°	0.1°
H5	C5	C7	H7	0.7°	0.1°
H13	C13	C14	H14	1.1°	0.0°
H14	C14	C18	H18	2.3°	0.0°

Definition date:	2008-08-20
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3E7V