YRZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C11	sing	1.53Å	1.51Å
C10	C9	sing	1.53Å	1.52Å
C11	C6	sing	1.53Å	1.51Å
C9	N8	sing	1.47Å	1.44Å
N8	C7	sing	1.47Å	1.44Å
C6	C7	sing	1.53Å	1.52Å
C6	N19	sing	1.46Å	1.45Å
N19	C17	sing	1.39Å	1.34Å
C17	N18	doub	1.32Å	1.35Å	Aromatic
C17	C1	sing	1.40Å	1.47Å	Aromatic
C5	C1	sing	1.51Å	1.50Å
C5	C4	sing	1.54Å	1.53Å
N18	C13	sing	1.34Å	1.37Å	Aromatic
C1	C2	doub	1.36Å	1.44Å	Aromatic
C4	N3	sing	1.47Å	1.46Å
C13	N12	sing	1.37Å	1.32Å	Aromatic
C13	C14	doub	1.39Å	1.42Å	Aromatic
C2	N3	sing	1.38Å	1.34Å
C2	N12	sing	1.38Å	1.34Å	Aromatic
N12	N16	sing	1.40Å	1.42Å	Aromatic
C14	C15	sing	1.39Å	1.39Å	Aromatic
N16	C15	doub	1.31Å	1.35Å	Aromatic
N19	H1	sing	0.97Å	1.00Å
C6	H2	sing	1.09Å	1.10Å
C11	H3	sing	1.09Å	1.10Å
C11	H4	sing	1.09Å	1.10Å
C10	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
N8	H9	sing	1.01Å	1.00Å
C7	H11	sing	1.09Å	1.10Å
C7	H12	sing	1.09Å	1.10Å
C5	H13	sing	1.09Å	1.10Å
C4	H14	sing	1.09Å	1.10Å
N3	H15	sing	0.97Å	1.00Å
C14	H16	sing	1.08Å	1.08Å
C15	H17	sing	1.08Å	1.08Å
C5	H10	sing	1.09Å	1.10Å
C4	H18	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	C10	C9	110.8°	109.3°
C10	C11	C6	108.4°	109.1°
C10	C11	H3	109.8°	109.5°
C10	C11	H4	109.7°	109.6°
C11	C10	H5	109.1°	109.5°
C11	C10	H6	109.2°	109.5°
C10	C9	N8	114.3°	109.5°
C9	C10	H5	109.1°	109.5°
C9	C10	H6	109.1°	109.5°
C10	C9	H7	108.3°	109.5°
C10	C9	H8	108.2°	109.5°
C11	C6	C7	108.0°	109.3°
C11	C6	N19	113.2°	109.5°
C11	C6	H2	108.6°	109.5°
C6	C11	H3	109.7°	109.5°
C6	C11	H4	109.7°	109.5°
C9	N8	C7	116.1°	111.2°
N8	C9	H7	108.2°	109.5°
N8	C9	H8	108.2°	109.4°
C9	N8	H9	107.8°	111.0°
N8	C7	C6	108.1°	109.5°
C7	N8	H9	107.8°	111.0°
N8	C7	H11	109.8°	109.4°
N8	C7	H12	109.8°	109.4°
C7	C6	N19	109.0°	109.5°
C7	C6	H2	108.4°	109.5°
C6	C7	H11	109.8°	109.4°
C6	C7	H12	109.8°	109.5°
C6	N19	C17	121.4°	120.0°
C6	N19	H1	106.4°	120.0°
N19	C6	H2	109.5°	109.5°
N19	C17	N18	123.6°	119.9°
N19	C17	C1	119.6°	119.9°
C17	N19	H1	106.4°	120.0°
N18	C17	C1	116.7°	120.3°
C17	N18	C13	119.2°	120.5°
C17	C1	C5	129.9°	131.2°
C17	C1	C2	118.9°	120.0°
C1	C5	C4	100.9°	104.0°
C5	C1	C2	111.2°	108.8°
C1	C5	H13	111.6°	110.5°
C1	C5	H10	111.6°	110.5°
C5	C4	N3	107.4°	104.6°
C4	C5	H13	111.6°	110.5°
C5	C4	H14	110.0°	110.4°
C4	C5	H10	111.6°	110.5°
C5	C4	H18	110.0°	110.4°
N18	C13	N12	127.2°	120.8°
N18	C13	C14	130.3°	132.3°
C1	C2	N3	108.3°	112.4°
C1	C2	N12	120.2°	118.2°
C4	N3	C2	112.0°	110.2°
N3	C4	H14	110.0°	110.4°
C4	N3	H15	108.8°	124.9°
N3	C4	H18	110.0°	110.4°
N12	C13	C14	102.5°	106.9°
C13	N12	C2	117.9°	120.3°
C13	N12	N16	114.8°	107.8°
C13	C14	C15	110.1°	107.6°
C13	C14	H16	125.0°	126.3°
N3	C2	N12	131.5°	129.4°
C2	N3	H15	108.8°	124.9°
C2	N12	N16	127.3°	131.9°
N12	N16	C15	103.8°	108.8°
C14	C15	N16	108.7°	108.9°
C15	C14	H16	125.0°	126.2°
C14	C15	H17	125.7°	125.5°
N16	C15	H17	125.6°	125.5°
H3	C11	H4	109.5°	109.6°
H5	C10	H6	109.5°	109.5°
H7	C9	H8	109.5°	109.5°
H11	C7	H12	109.5°	109.6°
H13	C5	H10	109.5°	110.6°
H14	C4	H18	109.5°	110.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	C10	C9	H5	120.2°	120.0°
C11	C10	C9	H6	120.2°	119.9°
C10	C11	C6	H3	119.9°	119.9°
C10	C11	C6	H4	119.8°	120.0°
C11	C10	C9	N8	45.3°	59.2°
C10	C11	C6	C7	64.7°	57.7°
C10	C11	C6	N19	174.4°	177.6°
C10	C11	C6	H2	52.7°	62.3°
C10	C11	H3	H4	120.5°	120.2°
C11	C10	H5	H6	119.4°	120.1°
C11	C10	C9	H7	166.0°	179.2°
C11	C10	C9	H8	75.4°	60.8°
C9	C10	C11	C6	54.7°	57.7°
C10	C9	N8	H7	120.7°	120.0°
C10	C9	N8	H8	120.7°	120.0°
C10	C9	N8	C7	46.9°	61.7°
C9	C10	C11	H3	65.2°	177.5°
C9	C10	C11	H4	174.5°	62.2°
C9	C10	H5	H6	119.4°	120.1°
C10	C9	H7	H8	117.8°	120.0°
C10	C9	N8	H9	74.0°	62.3°
C11	C6	C7	N8	63.7°	59.2°
C11	C6	C7	N19	123.4°	119.9°
C11	C6	C7	H2	117.5°	120.0°
C11	C6	N19	H2	121.3°	120.1°
C11	C6	N19	C17	141.8°	155.2°
C11	C6	N19	H1	96.6°	25.1°
C6	C11	H3	H4	120.5°	120.1°
C6	C11	C10	H5	65.5°	62.3°
C6	C11	C10	H6	174.9°	177.6°
C11	C6	C7	H11	176.6°	60.8°
C11	C6	C7	H12	56.1°	179.1°
C9	N8	C7	H9	120.9°	124.1°
C9	N8	C7	C6	55.2°	61.7°
N8	C9	C10	H5	74.9°	60.8°
N8	C9	C10	H6	165.5°	179.1°
N8	C9	H7	H8	117.8°	120.0°
C9	N8	C7	H11	175.0°	58.2°
C9	N8	C7	H12	64.6°	178.3°
N8	C7	C6	H11	119.8°	120.0°
N8	C7	C6	H12	119.8°	120.0°
N8	C7	C6	N19	172.9°	179.1°
N8	C7	C6	H2	53.8°	60.8°
C7	N8	C9	H7	167.6°	178.2°
C7	N8	C9	H8	73.8°	58.3°
N8	C7	H11	H12	120.6°	120.0°
C7	C6	N19	H2	118.5°	120.1°
C7	C6	N19	C17	98.0°	85.0°
C7	C6	N19	H1	23.7°	94.7°
C7	C6	C11	H3	55.1°	177.5°
C7	C6	C11	H4	175.4°	62.3°
C6	C7	N8	H9	65.7°	62.3°
C6	C7	H11	H12	120.7°	120.0°
C6	N19	C17	H1	121.7°	179.7°
C6	N19	C17	N18	17.4°	0.3°
C6	N19	C17	C1	165.3°	180.0°
N19	C6	C11	H3	65.7°	62.5°
N19	C6	C11	H4	54.6°	57.6°
N19	C6	C7	H11	53.2°	59.2°
N19	C6	C7	H12	67.3°	60.9°
N19	C17	N18	C1	177.4°	179.7°
N19	C17	C1	C5	2.6°	0.0°
N19	C17	N18	C13	178.7°	180.0°
N19	C17	C1	C2	179.2°	180.0°
C17	N19	C6	H2	20.5°	35.1°
N18	C17	C1	C5	180.0°	179.7°
N18	C17	C1	C2	1.7°	0.2°
C17	N18	C13	N12	0.0°	0.0°
C17	N18	C13	C14	178.6°	180.0°
N18	C17	N19	H1	139.1°	180.0°
C17	C1	C5	C2	178.4°	180.0°
C17	C1	C5	C4	175.0°	180.0°
C1	C17	N18	C13	1.3°	0.3°
C17	C1	C2	N3	177.3°	180.0°
C17	C1	C2	N12	0.7°	0.1°
C1	C17	N19	H1	43.6°	0.3°
C17	C1	C5	H13	56.5°	61.4°
C17	C1	C5	H10	66.3°	61.4°
C1	C5	C4	H13	118.6°	118.6°
C1	C5	C4	H10	118.6°	118.6°
C1	C5	C4	N3	4.1°	0.0°
C5	C1	C2	N3	1.2°	0.0°
C5	C1	C2	N12	179.3°	180.0°
C1	C5	H13	H10	124.0°	122.7°
C1	C5	C4	H14	115.5°	118.8°
C1	C5	C4	H18	123.8°	118.8°
C4	C5	C1	C2	3.3°	0.0°
C5	C4	N3	H14	119.7°	118.8°
C5	C4	N3	H18	119.7°	118.8°
C5	C4	N3	C2	3.9°	0.0°
C4	C5	H13	H10	124.0°	122.7°
C5	C4	H14	H18	120.9°	122.4°
C5	C4	N3	H15	124.3°	180.0°
N18	C13	N12	C14	178.9°	179.9°
N18	C13	N12	C2	1.1°	0.3°
N18	C13	N12	N16	178.5°	180.0°
N18	C13	C14	C15	179.1°	180.0°
N18	C13	C14	H16	0.9°	0.1°
C1	C2	N3	C4	1.7°	0.0°
C1	C2	N12	C13	0.7°	0.3°
C1	C2	N3	N12	177.7°	179.9°
C1	C2	N12	N16	178.9°	179.9°
C2	C1	C5	H13	121.9°	118.7°
C1	C2	N3	H15	122.1°	180.0°
C2	C1	C5	H10	115.3°	118.6°
C4	N3	C2	H15	120.4°	180.0°
C4	N3	C2	N12	176.0°	180.0°
N3	C4	C5	H13	122.7°	118.6°
N3	C4	H14	H18	121.0°	122.4°
N3	C4	C5	H10	114.4°	118.6°
C13	N12	C2	N3	178.2°	179.7°
C13	N12	C2	N16	179.6°	179.6°
N12	C13	C14	C15	0.2°	0.0°
C13	N12	N16	C15	0.8°	0.0°
N12	C13	C14	H16	179.8°	180.0°
C14	C13	N12	C2	180.0°	179.7°
C14	C13	N12	N16	0.4°	0.0°
C13	C14	C15	H16	180.0°	180.0°
C13	C14	C15	N16	0.8°	0.0°
C13	C14	C15	H17	179.3°	179.9°
N3	C2	N12	N16	1.4°	0.1°
C2	N3	C4	H14	115.8°	118.8°
C2	N3	C4	H18	123.5°	118.8°
C2	N12	N16	C15	179.6°	179.6°
N12	C2	N3	H15	55.6°	0.0°
N12	N16	C15	C14	0.9°	0.0°
N12	N16	C15	H17	179.1°	179.9°
C14	C15	N16	H17	180.0°	179.9°
N16	C15	C14	H16	179.2°	180.0°
H1	N19	C6	H2	142.2°	145.2°
H2	C6	C11	H3	172.5°	57.6°
H2	C6	C11	H4	67.2°	177.7°
H2	C6	C7	H11	65.9°	179.3°
H2	C6	C7	H12	173.6°	59.2°
H3	C11	C10	H5	174.6°	57.6°
H3	C11	C10	H6	55.0°	62.5°
H4	C11	C10	H5	54.3°	177.8°
H4	C11	C10	H6	65.3°	57.7°
H5	C10	C9	H7	45.8°	59.3°
H5	C10	C9	H8	164.4°	179.2°
H6	C10	C9	H7	73.8°	60.9°
H6	C10	C9	H8	44.8°	59.1°
H7	C9	N8	H9	46.7°	57.7°
H8	C9	N8	H9	165.3°	177.7°
H9	N8	C7	H11	54.1°	177.7°
H9	N8	C7	H12	174.5°	57.6°
H13	C5	C4	H14	3.1°	0.2°
H13	C5	C4	H18	117.6°	122.6°
H14	C4	N3	H15	4.6°	61.2°
H14	C4	C5	H10	125.9°	122.6°
H15	N3	C4	H18	116.1°	61.2°
H16	C14	C15	H17	0.7°	0.0°
H10	C5	C4	H18	5.2°	0.1°

Release date:	2013-12-18
Definition date:	2013-09-18
Last modified:	2013-12-13
Release status:	REL
Processing site:	PDBJ
Derived from:	3WI6