ZTV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	O	sing	1.43Å	1.40Å
C8	C9	sing	1.53Å	1.51Å
O	C7	sing	1.43Å	1.41Å
C9	N3	sing	1.47Å	1.47Å
C7	C6	sing	1.53Å	1.54Å
C14	C13	sing	1.53Å	1.50Å
C14	N4	sing	1.47Å	1.47Å
C13	O1	sing	1.43Å	1.44Å
N3	C6	sing	1.47Å	1.48Å
N3	C4	sing	1.39Å	1.46Å
C6	C10	sing	1.53Å	1.52Å
C	C4	doub	1.39Å	1.39Å	Aromatic
C	C1	sing	1.39Å	1.41Å	Aromatic
O1	C12	sing	1.43Å	1.42Å
C4	C3	sing	1.40Å	1.36Å	Aromatic
N4	C1	sing	1.39Å	1.41Å
N4	C11	sing	1.47Å	1.47Å
C1	N	doub	1.32Å	1.36Å	Aromatic
C15	C11	sing	1.53Å	1.52Å
C12	C11	sing	1.53Å	1.53Å
C3	N2	sing	1.38Å	1.36Å	Aromatic
C3	C2	doub	1.40Å	1.38Å	Aromatic
N	C2	sing	1.34Å	1.34Å	Aromatic
N2	C5	sing	1.37Å	1.36Å	Aromatic
C2	N1	sing	1.35Å	1.39Å	Aromatic
C5	N1	doub	1.31Å	1.33Å	Aromatic
C5	C16	sing	1.48Å	1.47Å
C20	C16	doub	1.39Å	1.39Å	Aromatic
C20	C19	sing	1.38Å	1.38Å	Aromatic
C16	N5	sing	1.33Å	1.34Å	Aromatic
C19	C18	doub	1.39Å	1.37Å	Aromatic
N5	C17	doub	1.32Å	1.34Å	Aromatic
C18	C17	sing	1.38Å	1.38Å	Aromatic
C11	H12	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C13	H15	sing	1.09Å	1.10Å
C13	H16	sing	1.09Å	1.10Å
C14	H18	sing	1.09Å	1.10Å
C14	H17	sing	1.09Å	1.10Å
C15	H19	sing	1.09Å	1.10Å
C15	H20	sing	1.09Å	1.10Å
C15	H21	sing	1.09Å	1.10Å
C17	H22	sing	1.08Å	1.08Å
C18	H23	sing	1.08Å	1.08Å
C19	H24	sing	1.08Å	1.08Å
C20	H25	sing	1.08Å	1.08Å
C	H	sing	1.08Å	1.08Å
C10	H11	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
C6	H2	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C7	H3	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C8	H5	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
N2	H1	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C8	C9	111.5°	109.2°
C8	O	C7	109.1°	113.7°
O	C8	H6	109.0°	109.5°
O	C8	H5	109.0°	109.5°
C8	C9	N3	109.8°	109.3°
C9	C8	H6	109.0°	109.5°
C9	C8	H5	109.0°	109.5°
C8	C9	H7	109.4°	109.5°
C8	C9	H8	109.4°	109.5°
O	C7	C6	111.5°	109.3°
O	C7	H4	109.0°	109.5°
O	C7	H3	109.0°	109.5°
C9	N3	C6	117.6°	110.8°
C9	N3	C4	118.3°	111.0°
N3	C9	H7	109.4°	109.5°
N3	C9	H8	109.4°	109.5°
C7	C6	N3	109.9°	109.3°
C7	C6	C10	110.5°	109.5°
C7	C6	H2	108.1°	109.5°
C6	C7	H4	109.0°	109.5°
C6	C7	H3	109.0°	109.5°
C13	C14	N4	109.3°	109.2°
C14	C13	O1	111.1°	109.3°
C14	C13	H15	109.1°	109.5°
C14	C13	H16	109.1°	109.5°
C13	C14	H18	109.5°	109.5°
C13	C14	H17	109.5°	109.5°
C14	N4	C1	119.7°	111.0°
C14	N4	C11	119.0°	110.8°
N4	C14	H18	109.5°	109.5°
N4	C14	H17	109.5°	109.6°
C13	O1	C12	106.8°	113.8°
O1	C13	H15	109.1°	109.5°
O1	C13	H16	109.0°	109.5°
C6	N3	C4	121.7°	111.0°
N3	C6	C10	111.2°	109.5°
N3	C6	H2	108.9°	109.5°
N3	C4	C	121.0°	120.9°
N3	C4	C3	121.1°	121.0°
C6	C10	H11	109.5°	109.5°
C6	C10	H10	109.5°	109.5°
C6	C10	H9	109.5°	109.4°
C10	C6	H2	108.3°	109.5°
C4	C	C1	117.9°	119.3°
C	C4	C3	117.9°	118.1°
C4	C	H	121.0°	120.3°
C	C1	N4	120.5°	119.3°
C	C1	N	123.8°	121.3°
C1	C	H	121.0°	120.4°
O1	C12	C11	110.0°	109.3°
O1	C12	H14	109.3°	109.5°
O1	C12	H13	109.3°	109.5°
C4	C3	N2	132.0°	134.0°
C4	C3	C2	121.3°	119.6°
C1	N4	C11	121.2°	111.0°
N4	C1	N	115.8°	119.4°
N4	C11	C15	111.3°	109.6°
N4	C11	C12	106.6°	109.3°
N4	C11	H12	109.2°	109.5°
C1	N	C2	116.1°	121.6°
C15	C11	C12	112.6°	109.5°
C15	C11	H12	108.6°	109.5°
C11	C15	H19	109.5°	109.5°
C11	C15	H20	109.5°	109.5°
C11	C15	H21	109.5°	109.4°
C12	C11	H12	108.4°	109.5°
C11	C12	H14	109.3°	109.5°
C11	C12	H13	109.3°	109.5°
N2	C3	C2	106.6°	106.4°
C3	N2	C5	106.9°	107.0°
C3	N2	H1	126.6°	126.5°
C3	C2	N	123.0°	120.0°
C3	C2	N1	109.7°	107.1°
N	C2	N1	127.3°	132.9°
N2	C5	N1	112.6°	109.6°
N2	C5	C16	121.5°	125.2°
C5	N2	H1	126.6°	126.5°
C2	N1	C5	104.2°	109.9°
N1	C5	C16	125.9°	125.1°
C5	C16	C20	120.9°	119.8°
C5	C16	N5	116.3°	119.7°
C16	C20	C19	118.5°	119.1°
C20	C16	N5	122.8°	120.5°
C16	C20	H25	120.8°	120.5°
C20	C19	C18	119.8°	118.5°
C20	C19	H24	120.1°	120.7°
C19	C20	H25	120.7°	120.4°
C16	N5	C17	117.1°	121.6°
C19	C18	C17	118.1°	119.4°
C19	C18	H23	121.0°	120.3°
C18	C19	H24	120.1°	120.8°
N5	C17	C18	123.8°	120.9°
N5	C17	H22	118.1°	119.5°
C18	C17	H22	118.1°	119.6°
C17	C18	H23	121.0°	120.3°
H14	C12	H13	109.5°	109.5°
H15	C13	H16	109.5°	109.5°
H18	C14	H17	109.5°	109.6°
H19	C15	H20	109.5°	109.5°
H19	C15	H21	109.5°	109.5°
H20	C15	H21	109.5°	109.5°
H11	C10	H10	109.5°	109.5°
H11	C10	H9	109.4°	109.4°
H10	C10	H9	109.5°	109.5°
H4	C7	H3	109.5°	109.5°
H6	C8	H5	109.4°	109.6°
H7	C9	H8	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C8	C9	H6	120.3°	119.9°
O	C8	C9	H5	120.3°	119.9°
O	C8	C9	N3	54.3°	56.8°
C8	O	C7	C6	64.4°	58.7°
C8	O	C7	H4	55.9°	178.6°
C8	O	C7	H3	175.2°	61.3°
O	C8	H6	H5	119.1°	120.1°
O	C8	C9	H7	65.8°	176.8°
O	C8	C9	H8	174.3°	63.1°
C9	C8	O	C7	66.9°	58.7°
C8	C9	N3	H7	120.0°	119.9°
C8	C9	N3	H8	120.0°	120.0°
C8	C9	N3	C6	42.3°	58.6°
C8	C9	N3	C4	120.3°	177.6°
C9	C8	H6	H5	119.1°	120.2°
C8	C9	H7	H8	119.9°	120.1°
O	C7	C6	H4	120.3°	120.0°
O	C7	C6	H3	120.3°	119.9°
O	C7	C6	N3	49.9°	56.8°
O	C7	C6	C10	73.1°	176.8°
O	C7	C6	H2	168.6°	63.2°
O	C7	H4	H3	119.1°	120.1°
C7	O	C8	H6	172.8°	61.2°
C7	O	C8	H5	53.4°	178.6°
C9	N3	C6	C7	40.4°	58.6°
C9	N3	C6	C4	162.0°	123.8°
C9	N3	C6	C10	82.3°	178.6°
C9	N3	C4	C	4.2°	63.9°
C9	N3	C4	C3	174.4°	116.0°
C9	N3	C6	H2	158.5°	61.4°
N3	C9	C8	H6	174.6°	63.1°
N3	C9	C8	H5	66.1°	176.7°
N3	C9	H7	H8	119.9°	120.1°
C7	C6	N3	C10	122.6°	119.9°
C7	C6	N3	H2	118.1°	120.0°
C7	C6	N3	C4	121.6°	177.6°
C7	C6	C10	H2	118.2°	120.1°
C7	C6	C10	H11	180.0°	59.9°
C7	C6	C10	H10	60.0°	179.9°
C7	C6	C10	H9	60.0°	60.0°
C6	C7	H4	H3	119.1°	120.1°
C13	C14	N4	H18	119.9°	119.9°
C13	C14	N4	H17	120.0°	119.9°
C14	C13	O1	H15	120.3°	119.9°
C14	C13	O1	H16	120.2°	120.0°
C14	C13	O1	C12	67.0°	58.6°
C13	C14	N4	C1	139.0°	177.6°
C13	C14	N4	C11	43.3°	58.6°
C14	C13	H15	H16	119.3°	120.1°
C13	C14	H18	H17	120.1°	120.1°
N4	C14	C13	O1	51.7°	56.8°
C14	N4	C1	C	38.4°	56.3°
C14	N4	C1	C11	177.7°	123.7°
C14	N4	C1	N	141.7°	123.9°
C14	N4	C11	C15	77.9°	178.6°
C14	N4	C11	C12	45.3°	58.6°
C14	N4	C11	H12	162.2°	61.3°
N4	C14	C13	H15	172.0°	176.8°
N4	C14	C13	H16	68.5°	63.2°
N4	C14	H18	H17	120.1°	120.2°
C13	O1	C12	C11	70.2°	58.6°
C13	O1	C12	H14	169.7°	61.3°
C13	O1	C12	H13	49.9°	178.6°
O1	C13	H15	H16	119.2°	120.1°
O1	C13	C14	H18	171.7°	63.1°
O1	C13	C14	H17	68.2°	176.8°
N3	C6	C10	H2	119.6°	120.1°
C6	N3	C4	C	157.7°	59.7°
C6	N3	C4	C3	23.7°	120.4°
N3	C6	C10	H11	57.7°	59.9°
N3	C6	C10	H10	177.7°	60.1°
N3	C6	C10	H9	62.2°	179.8°
N3	C6	C7	H4	70.4°	176.8°
N3	C6	C7	H3	170.2°	63.1°
C6	N3	C9	H7	77.8°	178.5°
C6	N3	C9	H8	162.3°	61.3°
C4	N3	C6	C10	115.8°	57.6°
N3	C4	C	C3	178.6°	179.9°
N3	C4	C	C1	179.2°	180.0°
N3	C4	C3	N2	0.7°	0.1°
N3	C4	C3	C2	179.3°	180.0°
N3	C4	C	H	0.7°	0.1°
C4	N3	C6	H2	3.5°	62.4°
C4	N3	C9	H7	119.6°	57.7°
C4	N3	C9	H8	0.3°	62.5°
C6	C10	H11	H10	120.0°	120.1°
C6	C10	H11	H9	120.0°	119.9°
C6	C10	H10	H9	120.0°	120.0°
C10	C6	C7	H4	166.6°	63.3°
C10	C6	C7	H3	47.2°	56.8°
C4	C	C1	H	180.0°	179.9°
C4	C	C1	N4	179.9°	179.7°
C4	C	C1	N	0.2°	0.0°
C	C4	C3	N2	179.3°	180.0°
C	C4	C3	C2	0.7°	0.1°
C1	C	C4	C3	0.6°	0.1°
C	C1	N4	N	179.8°	179.8°
C	C1	N4	C11	139.2°	67.4°
C	C1	N	C2	0.2°	0.0°
O1	C12	C11	N4	57.5°	56.8°
O1	C12	C11	C15	64.9°	176.8°
O1	C12	C11	H14	120.1°	119.9°
O1	C12	C11	H13	120.1°	120.0°
O1	C12	C11	H12	174.9°	63.1°
O1	C12	H14	H13	119.8°	120.1°
C12	O1	C13	H15	172.7°	178.6°
C12	O1	C13	H16	53.2°	61.3°
C4	C3	N2	C2	180.0°	179.9°
C4	C3	C2	N	0.3°	0.1°
C4	C3	N2	C5	179.5°	180.0°
C4	C3	C2	N1	179.7°	180.0°
C3	C4	C	H	179.4°	180.0°
C4	C3	N2	H1	0.5°	0.1°
C1	N4	C11	C15	99.8°	57.6°
C1	N4	C11	C12	137.0°	177.6°
N4	C1	N	C2	179.7°	179.7°
C1	N4	C11	H12	20.1°	62.5°
C1	N4	C14	H18	19.1°	62.5°
C1	N4	C14	H17	101.0°	57.7°
N4	C1	C	H	0.1°	0.2°
C11	N4	C1	N	40.6°	112.4°
N4	C11	C15	C12	119.7°	119.8°
N4	C11	C15	H12	120.2°	120.1°
N4	C11	C12	H12	117.4°	119.9°
N4	C11	C12	H14	177.5°	63.1°
N4	C11	C12	H13	62.6°	176.8°
C11	N4	C14	H18	163.2°	61.3°
C11	N4	C14	H17	76.7°	178.5°
N4	C11	C15	H19	180.0°	179.9°
N4	C11	C15	H20	60.0°	60.1°
N4	C11	C15	H21	60.0°	59.9°
C1	N	C2	C3	0.1°	0.0°
C1	N	C2	N1	179.9°	179.9°
N	C1	C	H	179.8°	180.0°
C15	C11	C12	H12	120.2°	120.1°
C15	C11	C12	H14	55.2°	56.9°
C15	C11	C12	H13	175.0°	63.2°
C11	C15	H19	H20	120.0°	120.0°
C11	C15	H19	H21	120.0°	120.0°
C11	C15	H20	H21	120.0°	120.0°
C11	C12	H14	H13	119.7°	120.1°
C12	C11	C15	H19	60.3°	60.1°
C12	C11	C15	H20	179.6°	179.9°
C12	C11	C15	H21	59.7°	59.9°
N2	C3	C2	N	179.7°	180.0°
C3	N2	C5	H1	180.0°	179.9°
N2	C3	C2	N1	0.4°	0.1°
C3	N2	C5	N1	0.5°	0.0°
C3	N2	C5	C16	178.9°	180.0°
C3	C2	N	N1	179.9°	179.9°
C2	C3	N2	C5	0.5°	0.1°
C3	C2	N1	C5	0.0°	0.0°
C2	C3	N2	H1	179.5°	180.0°
N	C2	N1	C5	180.0°	179.9°
N2	C5	N1	C2	0.3°	0.0°
N2	C5	N1	C16	179.4°	179.9°
N2	C5	C16	C20	31.7°	179.7°
N2	C5	C16	N5	148.6°	0.1°
C2	N1	C5	C16	179.1°	179.9°
N1	C5	C16	C20	147.7°	0.3°
N1	C5	C16	N5	32.1°	180.0°
N1	C5	N2	H1	179.5°	180.0°
C5	C16	C20	N5	179.7°	179.7°
C5	C16	C20	C19	179.9°	179.7°
C5	C16	N5	C17	179.9°	179.7°
C5	C16	C20	H25	0.1°	0.4°
C16	C5	N2	H1	1.1°	0.1°
C16	C20	C19	H25	180.0°	180.0°
C16	C20	C19	C18	0.1°	0.0°
C20	C16	N5	C17	0.4°	0.0°
C16	C20	C19	H24	179.9°	179.9°
C19	C20	C16	N5	0.4°	0.0°
C20	C19	C18	H24	180.0°	180.0°
C20	C19	C18	C17	0.1°	0.0°
C20	C19	C18	H23	180.0°	179.9°
C16	N5	C17	C18	0.2°	0.0°
C16	N5	C17	H22	179.8°	180.0°
N5	C16	C20	H25	179.6°	180.0°
C19	C18	C17	N5	0.0°	0.0°
C19	C18	C17	H23	180.0°	180.0°
C19	C18	C17	H22	180.0°	180.0°
C18	C19	C20	H25	179.9°	180.0°
N5	C17	C18	H22	180.0°	179.9°
N5	C17	C18	H23	180.0°	180.0°
C17	C18	C19	H24	179.9°	180.0°
H12	C11	C12	H14	65.0°	177.0°
H12	C11	C12	H13	54.8°	56.9°
H12	C11	C15	H19	59.8°	60.0°
H12	C11	C15	H20	60.3°	60.0°
H12	C11	C15	H21	179.8°	180.0°
H15	C13	C14	H18	68.0°	56.9°
H15	C13	C14	H17	52.0°	63.3°
H16	C13	C14	H18	51.5°	177.0°
H16	C13	C14	H17	171.5°	56.8°
H19	C15	H20	H21	120.0°	120.0°
H22	C17	C18	H23	0.0°	0.1°
H23	C18	C19	H24	0.0°	0.1°
H24	C19	C20	H25	0.1°	0.0°
H11	C10	H10	H9	120.0°	120.0°
H11	C10	C6	H2	61.8°	180.0°
H10	C10	C6	H2	58.2°	60.0°
H9	C10	C6	H2	178.2°	60.1°
H2	C6	C7	H4	48.2°	56.8°
H2	C6	C7	H3	71.1°	176.9°
H6	C8	C9	H7	54.5°	56.9°
H6	C8	C9	H8	65.4°	177.0°
H5	C8	C9	H7	173.9°	63.3°
H5	C8	C9	H8	54.0°	56.8°

Release date:	2023-07-19
Definition date:	2023-04-03
Last modified:	2023-07-14
Release status:	REL
Processing site:	RCSB
Derived from:	8SBC