4RZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C8	doub	1.22Å	1.22Å
C14	C13	doub	1.38Å	1.39Å	Aromatic
C14	C9	sing	1.40Å	1.38Å	Aromatic
C8	C9	sing	1.48Å	1.48Å
C8	N3	sing	1.35Å	1.37Å
C13	C12	sing	1.38Å	1.38Å	Aromatic
C5	C6	sing	1.53Å	1.52Å
C5	C4	sing	1.53Å	1.53Å
C9	C10	doub	1.40Å	1.38Å	Aromatic
C6	C7	sing	1.53Å	1.53Å
C7	N3	sing	1.46Å	1.45Å
C7	C15	sing	1.53Å	1.51Å
C12	C11	doub	1.39Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.37Å	Aromatic
C4	C3	sing	1.52Å	1.52Å
C4	N1	sing	1.44Å	1.47Å
C15	C3	sing	1.53Å	1.53Å
C3	C2	sing	1.53Å	1.52Å
C11	CL1	sing	1.74Å	1.73Å
N1	C1	doub	1.28Å	1.32Å
C2	S1	sing	1.81Å	1.82Å
C1	S1	sing	1.76Å	1.73Å
C1	N2	sing	1.38Å	1.31Å
C7	H1	sing	1.09Å	1.10Å
C6	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C2	H8	sing	1.09Å	1.10Å
C2	H9	sing	1.09Å	1.10Å
N2	H10	sing	0.97Å	1.00Å
N2	H11	sing	0.97Å	1.00Å
N3	H12	sing	0.97Å	1.00Å
C10	H13	sing	1.08Å	1.08Å
C12	H14	sing	1.08Å	1.08Å
C13	H15	sing	1.08Å	1.08Å
C14	H16	sing	1.08Å	1.08Å
C15	H17	sing	1.09Å	1.10Å
C15	H18	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C8	C9	120.5°	120.0°
O1	C8	N3	125.2°	120.0°
C13	C14	C9	119.8°	119.9°
C14	C13	C12	119.8°	120.1°
C14	C13	H15	120.1°	120.0°
C13	C14	H16	120.1°	120.0°
C14	C9	C8	119.3°	120.1°
C14	C9	C10	120.5°	119.7°
C9	C14	H16	120.1°	120.1°
C9	C8	N3	114.3°	120.0°
C8	C9	C10	120.2°	120.1°
C8	N3	C7	123.9°	120.0°
C8	N3	H12	118.1°	120.0°
C13	C12	C11	119.8°	120.3°
C13	C12	H14	120.1°	119.9°
C12	C13	H15	120.1°	119.9°
C6	C5	C4	110.2°	109.5°
C5	C6	C7	112.3°	109.4°
C5	C6	H2	108.7°	109.5°
C5	C6	H3	108.8°	109.5°
C6	C5	H4	109.3°	109.5°
C6	C5	H5	109.3°	109.5°
C5	C4	C3	106.9°	109.9°
C5	C4	N1	109.7°	110.7°
C4	C5	H4	109.3°	109.5°
C4	C5	H5	109.3°	109.4°
C5	C4	H6	108.9°	107.9°
C9	C10	C11	119.3°	119.8°
C9	C10	H13	120.4°	120.1°
C6	C7	N3	109.0°	109.4°
C6	C7	C15	111.9°	109.4°
C6	C7	H1	108.9°	109.5°
C7	C6	H2	108.8°	109.5°
C7	C6	H3	108.8°	109.5°
N3	C7	C15	107.8°	109.5°
N3	C7	H1	110.1°	109.5°
C7	N3	H12	118.0°	120.0°
C7	C15	C3	112.1°	109.4°
C15	C7	H1	109.1°	109.5°
C7	C15	H17	108.8°	109.5°
C7	C15	H18	108.8°	109.5°
C12	C11	C10	120.9°	120.1°
C12	C11	CL1	119.8°	119.9°
C11	C12	H14	120.1°	119.9°
C10	C11	CL1	119.3°	120.0°
C11	C10	H13	120.3°	120.1°
C3	C4	N1	112.5°	113.1°
C4	C3	C15	116.0°	109.8°
C4	C3	C2	108.5°	109.2°
C3	C4	H6	109.0°	107.9°
C4	C3	H7	106.5°	109.5°
C4	N1	C1	126.4°	128.7°
N1	C4	H6	109.7°	107.2°
C15	C3	C2	112.5°	109.2°
C15	C3	H7	106.4°	109.6°
C3	C15	H17	108.8°	109.4°
C3	C15	H18	108.8°	109.5°
C3	C2	S1	109.9°	108.0°
C2	C3	H7	106.5°	109.5°
C3	C2	H8	109.4°	109.8°
C3	C2	H9	109.4°	109.8°
N1	C1	S1	122.5°	123.9°
N1	C1	N2	120.9°	118.1°
C2	S1	C1	103.7°	99.7°
S1	C2	H8	109.3°	109.7°
S1	C2	H9	109.4°	109.7°
S1	C1	N2	116.6°	118.0°
C1	N2	H10	120.0°	120.1°
C1	N2	H11	120.0°	120.0°
H2	C6	H3	109.5°	109.5°
H4	C5	H5	109.5°	109.5°
H8	C2	H9	109.4°	109.8°
H10	N2	H11	120.0°	119.9°
H17	C15	H18	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C8	C9	C14	28.1°	179.7°
O1	C8	C9	N3	178.4°	179.9°
O1	C8	C9	C10	152.4°	0.1°
O1	C8	N3	C7	5.2°	0.1°
O1	C8	N3	H12	174.8°	180.0°
C13	C14	C9	H16	180.0°	179.5°
C13	C14	C9	C8	179.1°	179.8°
C14	C13	C12	H15	180.0°	179.7°
C13	C14	C9	C10	0.3°	0.5°
C14	C13	C12	C11	0.0°	0.3°
C14	C13	C12	H14	180.0°	179.8°
C14	C9	C8	C10	179.4°	179.7°
C14	C9	C8	N3	150.2°	0.4°
C9	C14	C13	C12	0.4°	0.5°
C14	C9	C10	C11	0.1°	0.3°
C14	C9	C10	H13	179.9°	179.7°
C9	C14	C13	H15	179.6°	179.8°
C9	C8	N3	C7	173.0°	180.0°
C8	C9	C10	C11	179.5°	179.9°
C9	C8	N3	H12	7.0°	0.1°
C8	C9	C10	H13	0.5°	0.0°
C8	C9	C14	H16	0.9°	0.3°
N3	C8	C9	C10	29.2°	180.0°
C8	N3	C7	C6	106.1°	85.1°
C8	N3	C7	H12	180.0°	179.9°
C8	N3	C7	C15	132.2°	155.0°
C8	N3	C7	H1	13.3°	34.9°
C13	C12	C11	H14	180.0°	179.9°
C13	C12	C11	C10	0.4°	0.0°
C13	C12	C11	CL1	180.0°	180.0°
C12	C13	C14	H16	179.6°	179.9°
C6	C5	C4	H4	120.1°	120.0°
C6	C5	C4	H5	120.1°	120.0°
C5	C6	C7	H2	120.4°	120.0°
C5	C6	C7	H3	120.4°	120.0°
C5	C6	C7	N3	171.5°	179.7°
C5	C6	C7	C15	52.3°	60.3°
C6	C5	C4	C3	59.9°	59.4°
C6	C5	C4	N1	62.4°	66.2°
C5	C6	C7	H1	68.4°	59.7°
C5	C6	H2	H3	118.7°	120.0°
C6	C5	H4	H5	119.7°	120.0°
C6	C5	C4	H6	177.5°	176.7°
C4	C5	C6	C7	60.6°	59.8°
C5	C4	C3	N1	120.6°	124.3°
C5	C4	C3	H6	117.5°	117.3°
C5	C4	N1	H6	119.5°	117.4°
C5	C4	C3	C15	56.0°	59.3°
C5	C4	C3	C2	176.4°	179.0°
C5	C4	N1	C1	146.8°	142.6°
C4	C5	C6	H2	59.8°	179.9°
C4	C5	C6	H3	179.0°	60.1°
C4	C5	H4	H5	119.7°	119.9°
C5	C4	C3	H7	62.1°	61.1°
C9	C10	C11	C12	0.4°	0.0°
C9	C10	C11	H13	180.0°	180.0°
C9	C10	C11	CL1	180.0°	180.0°
C10	C9	C14	H16	179.7°	180.0°
C6	C7	N3	C15	121.7°	120.0°
C6	C7	N3	H1	119.3°	120.0°
C6	C7	C15	H1	120.6°	120.0°
C6	C7	C15	C3	45.3°	60.0°
C7	C6	H2	H3	118.7°	120.0°
C7	C6	C5	H4	59.5°	60.2°
C7	C6	C5	H5	179.3°	179.8°
C6	C7	N3	H12	73.9°	95.0°
C6	C7	C15	H17	75.1°	60.0°
C6	C7	C15	H18	165.7°	179.9°
N3	C7	C15	H1	119.5°	120.0°
N3	C7	C15	C3	165.2°	179.9°
N3	C7	C6	H2	51.1°	59.7°
N3	C7	C6	H3	68.1°	60.3°
N3	C7	C15	H17	44.8°	60.0°
N3	C7	C15	H18	74.4°	60.1°
C7	C15	C3	C4	49.7°	59.5°
C7	C15	C3	H17	120.4°	120.0°
C7	C15	C3	H18	120.4°	120.0°
C7	C15	C3	C2	175.4°	179.2°
C15	C7	C6	H2	68.1°	179.7°
C15	C7	C6	H3	172.7°	59.7°
C7	C15	C3	H7	68.4°	60.9°
C15	C7	N3	H12	47.8°	24.9°
C7	C15	H17	H18	118.8°	120.1°
C12	C11	C10	CL1	179.6°	180.0°
C12	C11	C10	H13	179.6°	180.0°
C11	C12	C13	H15	180.0°	180.0°
C10	C11	C12	H14	179.6°	180.0°
C3	C4	N1	H6	121.5°	118.8°
C4	C3	C15	C2	125.7°	119.7°
C4	C3	C15	H7	118.2°	120.4°
C4	C3	C2	H7	114.3°	119.9°
C3	C4	N1	C1	27.9°	18.8°
C4	C3	C2	S1	66.5°	70.5°
C3	C4	C5	H4	60.2°	60.6°
C3	C4	C5	H5	180.0°	179.4°
C4	C3	C2	H8	173.4°	169.9°
C4	C3	C2	H9	53.6°	49.1°
C4	C3	C15	H17	70.6°	60.5°
C4	C3	C15	H18	170.1°	179.5°
N1	C4	C3	C15	64.6°	65.0°
N1	C4	C3	C2	63.1°	54.7°
C4	N1	C1	S1	1.5°	1.3°
C4	N1	C1	N2	177.3°	178.6°
N1	C4	C5	H4	177.5°	173.8°
N1	C4	C5	H5	57.7°	53.8°
N1	C4	C3	H7	177.3°	174.6°
C15	C3	C2	H7	116.1°	120.0°
C15	C3	C2	S1	63.1°	49.6°
C3	C15	C7	H1	75.3°	60.0°
C15	C3	C4	H6	173.5°	176.6°
C15	C3	C2	H8	56.9°	70.0°
C15	C3	C2	H9	176.7°	169.2°
C3	C15	H17	H18	118.8°	120.0°
C3	C2	S1	H8	120.1°	119.6°
C3	C2	S1	H9	120.1°	119.6°
C3	C2	S1	C1	35.8°	47.6°
C2	C3	C4	H6	58.8°	63.7°
C3	C2	H8	H9	119.8°	120.8°
C2	C3	C15	H17	55.0°	59.3°
C2	C3	C15	H18	64.2°	60.8°
CL1	C11	C10	H13	0.0°	0.0°
CL1	C11	C12	H14	0.0°	0.1°
N1	C1	S1	C2	2.6°	15.4°
N1	C1	S1	N2	178.9°	180.0°
C1	N1	C4	H6	93.6°	100.0°
N1	C1	N2	H10	0.0°	180.0°
N1	C1	N2	H11	180.0°	0.0°
C2	S1	C1	N2	178.5°	164.5°
S1	C2	C3	H7	179.3°	169.6°
S1	C2	H8	H9	119.8°	120.7°
C1	S1	C2	H8	155.9°	167.2°
C1	S1	C2	H9	84.3°	72.0°
S1	C1	N2	H10	178.9°	0.0°
S1	C1	N2	H11	1.1°	180.0°
C1	N2	H10	H11	180.0°	180.0°
H1	C7	C6	H2	171.2°	60.3°
H1	C7	C6	H3	52.0°	179.7°
H1	C7	N3	H12	166.8°	145.0°
H1	C7	C15	H17	164.3°	180.0°
H1	C7	C15	H18	45.1°	59.9°
H2	C6	C5	H4	179.9°	59.8°
H2	C6	C5	H5	60.3°	60.2°
H3	C6	C5	H4	60.9°	179.8°
H3	C6	C5	H5	58.9°	59.8°
H4	C5	C4	H6	57.5°	56.7°
H5	C5	C4	H6	62.3°	63.3°
H6	C4	C3	H7	55.4°	56.2°
H7	C3	C2	H8	59.2°	50.0°
H7	C3	C2	H9	60.6°	70.8°
H7	C3	C15	H17	171.2°	179.2°
H7	C3	C15	H18	52.0°	59.1°
H14	C12	C13	H15	0.0°	0.1°
H15	C13	C14	H16	0.4°	0.3°

Release date:	2015-06-10
Definition date:	2015-05-15
Last modified:	2015-06-05
Release status:	REL
Processing site:	RCSB
Derived from:	4ZSP