ZV8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	C2	sing	1.53Å	1.54Å
C3	C2	sing	1.53Å	1.53Å
C9	C8	sing	1.51Å	1.50Å
C9	C10	sing	1.53Å	1.51Å
N2	C8	doub	1.33Å	1.35Å	Aromatic
N2	C5	sing	1.32Å	1.34Å	Aromatic
C2	C5	sing	1.51Å	1.54Å
C2	C1	sing	1.53Å	1.53Å
C8	C7	sing	1.38Å	1.39Å	Aromatic
C5	N1	doub	1.32Å	1.34Å	Aromatic
N3	C10	sing	1.47Å	1.47Å
N3	C11	sing	1.47Å	1.46Å
C7	C11	sing	1.50Å	1.51Å
C7	C6	doub	1.39Å	1.45Å	Aromatic
N1	C6	sing	1.32Å	1.33Å	Aromatic
N3	H1	sing	1.01Å	1.00Å
C4	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C4	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.08Å	1.08Å
C10	H7	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.09Å	1.10Å
C1	H11	sing	1.09Å	1.10Å
C3	H12	sing	1.09Å	1.10Å
C3	H13	sing	1.09Å	1.10Å
C3	H14	sing	1.09Å	1.10Å
C9	H15	sing	1.09Å	1.10Å
C9	H16	sing	1.09Å	1.10Å
C11	H17	sing	1.09Å	1.10Å
C11	H18	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	C2	C3	107.5°	109.5°
C4	C2	C5	110.5°	109.5°
C4	C2	C1	108.3°	109.5°
C2	C4	H3	109.5°	109.4°
C2	C4	H4	109.5°	109.4°
C2	C4	H5	109.5°	109.5°
C3	C2	C5	112.8°	109.5°
C3	C2	C1	107.5°	109.5°
C2	C3	H12	109.5°	109.5°
C2	C3	H13	109.5°	109.5°
C2	C3	H14	109.5°	109.5°
C8	C9	C10	109.7°	109.9°
C9	C8	N2	117.5°	119.4°
C9	C8	C7	121.9°	121.6°
C8	C9	H15	109.4°	109.4°
C8	C9	H16	109.4°	109.4°
C9	C10	N3	108.9°	108.7°
C9	C10	H7	109.6°	109.6°
C9	C10	H8	109.6°	109.8°
C10	C9	H15	109.4°	109.4°
C10	C9	H16	109.4°	109.5°
C8	N2	C5	119.0°	120.9°
N2	C8	C7	120.6°	119.0°
N2	C5	C2	118.7°	119.2°
N2	C5	N1	124.1°	121.7°
C5	C2	C1	110.1°	109.4°
C2	C5	N1	117.2°	119.1°
C2	C1	H9	109.5°	109.5°
C2	C1	H10	109.4°	109.4°
C2	C1	H11	109.5°	109.5°
C8	C7	C11	120.0°	122.1°
C8	C7	C6	117.1°	118.5°
C5	N1	C6	119.3°	120.8°
C10	N3	C11	113.2°	110.4°
C10	N3	H1	108.6°	111.0°
N3	C10	H7	109.6°	109.6°
N3	C10	H8	109.6°	109.6°
N3	C11	C7	114.2°	110.4°
C11	N3	H1	108.5°	111.0°
N3	C11	H17	108.3°	109.3°
N3	C11	H18	108.3°	109.3°
C11	C7	C6	122.7°	119.4°
C7	C11	H17	108.3°	109.3°
C7	C11	H18	108.3°	109.4°
C7	C6	N1	119.8°	119.1°
C7	C6	H6	120.1°	120.4°
N1	C6	H6	120.1°	120.5°
H3	C4	H4	109.5°	109.5°
H3	C4	H5	109.5°	109.5°
H4	C4	H5	109.4°	109.5°
H7	C10	H8	109.4°	109.6°
H9	C1	H10	109.5°	109.5°
H9	C1	H11	109.5°	109.5°
H10	C1	H11	109.4°	109.5°
H12	C3	H13	109.4°	109.5°
H12	C3	H14	109.5°	109.5°
H13	C3	H14	109.5°	109.5°
H15	C9	H16	109.5°	109.3°
H17	C11	H18	109.5°	109.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	C2	C3	C5	122.1°	120.0°
C4	C2	C3	C1	116.4°	120.0°
C4	C2	C5	N2	131.0°	180.0°
C4	C2	C5	C1	119.5°	120.0°
C4	C2	C5	N1	49.0°	0.1°
C2	C4	H3	H4	120.0°	119.9°
C2	C4	H3	H5	120.0°	120.0°
C2	C4	H4	H5	120.0°	120.0°
C4	C2	C1	H9	180.0°	60.0°
C4	C2	C1	H10	60.0°	180.0°
C4	C2	C1	H11	60.0°	60.0°
C4	C2	C3	H12	180.0°	60.0°
C4	C2	C3	H13	60.0°	180.0°
C4	C2	C3	H14	60.0°	60.0°
C3	C2	C5	N2	10.6°	59.9°
C3	C2	C5	C1	120.1°	120.0°
C3	C2	C5	N1	169.4°	120.0°
C3	C2	C4	H3	180.0°	60.0°
C3	C2	C4	H4	60.0°	60.0°
C3	C2	C4	H5	60.0°	180.0°
C3	C2	C1	H9	64.1°	60.0°
C3	C2	C1	H10	55.9°	60.0°
C3	C2	C1	H11	175.9°	180.0°
C2	C3	H12	H13	120.0°	120.0°
C2	C3	H12	H14	120.0°	120.0°
C2	C3	H13	H14	120.0°	120.0°
C8	C9	C10	H15	120.0°	120.1°
C8	C9	C10	H16	120.0°	120.1°
C9	C8	N2	C7	177.9°	179.7°
C9	C8	N2	C5	179.9°	179.5°
C8	C9	C10	N3	55.1°	50.3°
C9	C8	C7	C11	1.9°	0.5°
C9	C8	C7	C6	177.5°	179.5°
C8	C9	C10	H7	175.0°	69.4°
C8	C9	C10	H8	64.8°	170.2°
C8	C9	H15	H16	119.9°	119.8°
C10	C9	C8	N2	152.5°	163.3°
C10	C9	C8	C7	25.4°	16.9°
C9	C10	N3	H7	119.9°	119.7°
C9	C10	N3	H8	119.9°	120.0°
C9	C10	N3	C11	65.1°	71.1°
C9	C10	N3	H1	55.4°	52.4°
C9	C10	H7	H8	120.3°	120.5°
C10	C9	H15	H16	119.9°	119.9°
C8	N2	C5	C2	176.4°	180.0°
C8	N2	C5	N1	3.6°	0.1°
N2	C8	C7	C11	176.0°	179.7°
N2	C8	C7	C6	0.3°	0.2°
N2	C8	C9	H15	87.5°	76.6°
N2	C8	C9	H16	32.4°	43.2°
N2	C5	C2	N1	180.0°	179.9°
N2	C5	C2	C1	109.5°	60.1°
C5	N2	C8	C7	2.2°	0.2°
N2	C5	N1	C6	2.1°	0.1°
C2	C5	N1	C6	177.8°	179.9°
C5	C2	C4	H3	56.5°	60.1°
C5	C2	C4	H4	176.5°	180.0°
C5	C2	C4	H5	63.5°	60.0°
C5	C2	C1	H9	59.1°	180.0°
C5	C2	C1	H10	179.1°	60.1°
C5	C2	C1	H11	60.9°	60.0°
C5	C2	C3	H12	57.9°	60.0°
C5	C2	C3	H13	62.1°	60.0°
C5	C2	C3	H14	177.9°	180.0°
C1	C2	C5	N1	70.6°	120.0°
C1	C2	C4	H3	64.2°	180.0°
C1	C2	C4	H4	55.9°	60.0°
C1	C2	C4	H5	175.8°	60.0°
C2	C1	H9	H10	120.0°	120.0°
C2	C1	H9	H11	120.0°	120.0°
C2	C1	H10	H11	120.0°	120.0°
C1	C2	C3	H12	63.7°	180.0°
C1	C2	C3	H13	176.3°	60.0°
C1	C2	C3	H14	56.3°	60.0°
C8	C7	C11	N3	8.3°	17.5°
C8	C7	C11	C6	175.4°	179.9°
C8	C7	C6	N1	1.7°	0.1°
C8	C7	C6	H6	178.3°	179.9°
C7	C8	C9	H15	94.6°	103.2°
C7	C8	C9	H16	145.4°	137.1°
C8	C7	C11	H17	129.0°	137.7°
C8	C7	C11	H18	112.3°	102.8°
C5	N1	C6	C7	0.6°	0.0°
C5	N1	C6	H6	179.5°	180.0°
C10	N3	C11	H1	120.6°	123.5°
C10	N3	C11	C7	40.2°	52.3°
N3	C10	H7	H8	120.3°	120.3°
N3	C10	C9	H15	64.9°	69.8°
N3	C10	C9	H16	175.2°	170.4°
C10	N3	C11	H17	160.9°	172.5°
C10	N3	C11	H18	80.5°	68.0°
N3	C11	C7	H17	120.7°	120.2°
N3	C11	C7	H18	120.7°	120.3°
N3	C11	C7	C6	176.3°	162.6°
C11	N3	C10	H7	174.9°	48.6°
C11	N3	C10	H8	54.8°	168.9°
N3	C11	H17	H18	117.9°	119.5°
C11	C7	C6	N1	177.2°	179.8°
C7	C11	N3	H1	80.3°	71.2°
C11	C7	C6	H6	2.8°	0.2°
C7	C11	H17	H18	117.9°	119.6°
C7	C6	N1	H6	180.0°	180.0°
C6	C7	C11	H17	55.6°	42.4°
C6	C7	C11	H18	63.1°	77.1°
H1	N3	C10	H7	64.5°	172.1°
H1	N3	C10	H8	175.3°	67.6°
H1	N3	C11	H17	40.3°	49.1°
H1	N3	C11	H18	159.0°	168.5°
H3	C4	H4	H5	120.0°	120.0°
H7	C10	C9	H15	55.0°	170.5°
H7	C10	C9	H16	64.9°	50.7°
H8	C10	C9	H15	175.1°	50.1°
H8	C10	C9	H16	55.2°	69.7°
H9	C1	H10	H11	120.0°	120.0°
H12	C3	H13	H14	120.0°	120.0°

Release date:	2023-07-26
Definition date:	2023-07-05
Last modified:	2023-07-21
Release status:	REL
Processing site:	RCSB
Derived from:	7G9Y