9W6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	N2	doub	1.31Å	1.34Å	Aromatic
C13	C14	sing	1.41Å	1.39Å	Aromatic
O3	C8	doub	1.21Å	1.23Å
N2	C12	sing	1.32Å	1.34Å	Aromatic
N3	C14	sing	1.33Å	1.40Å	Aromatic
N3	C9	doub	1.29Å	1.30Å	Aromatic
C14	C10	doub	1.41Å	1.40Å	Aromatic
C8	C9	sing	1.48Å	1.45Å
C8	N1	sing	1.35Å	1.37Å
C9	S1	sing	1.76Å	1.75Å	Aromatic
S	C6	sing	1.76Å	1.72Å	Aromatic
S	C7	sing	1.70Å	1.73Å	Aromatic
C12	C11	doub	1.37Å	1.38Å	Aromatic
C10	C11	sing	1.40Å	1.39Å	Aromatic
C10	S1	sing	1.76Å	1.74Å	Aromatic
N1	C7	sing	1.38Å	1.39Å
C6	C5	doub	1.33Å	1.35Å	Aromatic
C7	C4	doub	1.37Å	1.37Å	Aromatic
C5	C4	sing	1.45Å	1.43Å	Aromatic
C4	C3	sing	1.46Å	1.51Å
C3	N	sing	1.35Å	1.37Å
C3	O2	doub	1.22Å	1.23Å
N	C2	sing	1.35Å	1.38Å
O	C2	sing	1.35Å	1.35Å
O	C1	sing	1.45Å	1.46Å
C2	O1	doub	1.21Å	1.21Å
C	C1	sing	1.53Å	1.50Å
N	H1	sing	0.97Å	1.00Å
C	H2	sing	1.09Å	1.10Å
C	H3	sing	1.09Å	1.10Å
C	H4	sing	1.09Å	1.10Å
C1	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C11	H7	sing	1.08Å	1.08Å
C12	H8	sing	1.08Å	1.08Å
C13	H9	sing	1.08Å	1.08Å
C5	H10	sing	1.08Å	1.08Å
C6	H11	sing	1.08Å	1.08Å
N1	H12	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	C13	C14	124.2°	120.7°
C13	N2	C12	117.6°	122.6°
N2	C13	H9	117.9°	119.6°
C13	C14	N3	128.9°	129.8°
C13	C14	C10	115.9°	117.2°
C14	C13	H9	117.9°	119.7°
O3	C8	C9	119.8°	120.1°
O3	C8	N1	124.5°	120.0°
N2	C12	C11	124.2°	121.1°
N2	C12	H8	117.9°	119.5°
C14	N3	C9	110.1°	118.2°
N3	C14	C10	115.2°	112.9°
N3	C9	C8	124.2°	124.9°
N3	C9	S1	116.4°	110.3°
C14	C10	C11	121.3°	119.3°
C14	C10	S1	109.7°	108.3°
C9	C8	N1	115.7°	119.9°
C8	C9	S1	119.3°	124.8°
C8	N1	C7	126.1°	120.0°
C8	N1	H12	116.9°	120.0°
C9	S1	C10	88.6°	90.2°
C6	S	C7	90.9°	92.5°
S	C6	C5	112.9°	110.8°
S	C6	H11	123.5°	124.6°
S	C7	N1	122.9°	124.7°
S	C7	C4	111.7°	110.7°
C12	C11	C10	116.7°	119.1°
C12	C11	H7	121.6°	120.4°
C11	C12	H8	117.9°	119.5°
C11	C10	S1	129.0°	132.4°
C10	C11	H7	121.6°	120.5°
N1	C7	C4	125.4°	124.6°
C7	N1	H12	116.9°	120.0°
C6	C5	C4	112.4°	113.2°
C6	C5	H10	123.8°	123.4°
C5	C6	H11	123.6°	124.6°
C7	C4	C5	112.0°	112.7°
C7	C4	C3	127.3°	123.6°
C5	C4	C3	120.6°	123.7°
C4	C5	H10	123.8°	123.4°
C4	C3	N	116.2°	120.0°
C4	C3	O2	120.8°	120.0°
N	C3	O2	123.0°	120.0°
C3	N	C2	124.7°	120.0°
C3	N	H1	117.7°	120.0°
N	C2	O	109.4°	120.0°
N	C2	O1	125.8°	120.0°
C2	N	H1	117.7°	120.0°
C2	O	C1	116.5°	117.0°
O	C2	O1	124.8°	120.0°
O	C1	C	108.4°	109.5°
O	C1	H5	109.8°	109.5°
O	C1	H6	109.8°	109.5°
C1	C	H2	109.5°	109.5°
C1	C	H3	109.5°	109.5°
C1	C	H4	109.5°	109.5°
C	C1	H5	109.7°	109.5°
C	C1	H6	109.7°	109.5°
H2	C	H3	109.5°	109.5°
H2	C	H4	109.5°	109.4°
H3	C	H4	109.4°	109.5°
H5	C1	H6	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C13	C14	H9	180.0°	179.1°
N2	C13	C14	N3	178.9°	180.0°
N2	C13	C14	C10	1.1°	0.5°
C13	N2	C12	C11	0.7°	0.5°
C13	N2	C12	H8	179.3°	179.4°
C14	C13	N2	C12	0.2°	0.8°
C13	C14	N3	C10	180.0°	179.4°
C13	C14	N3	C9	179.3°	180.0°
C13	C14	C10	C11	1.2°	0.0°
C13	C14	C10	S1	179.1°	179.7°
O3	C8	C9	N3	11.5°	179.7°
O3	C8	C9	N1	179.1°	179.9°
O3	C8	C9	S1	167.8°	0.1°
O3	C8	N1	C7	1.7°	0.1°
O3	C8	N1	H12	178.3°	180.0°
N2	C12	C11	H8	180.0°	180.0°
N2	C12	C11	C10	0.5°	0.0°
N2	C12	C11	H7	179.5°	180.0°
C12	N2	C13	H9	179.8°	179.9°
C14	N3	C9	C8	179.5°	179.8°
C14	N3	C9	S1	0.2°	0.5°
N3	C14	C10	C11	178.7°	179.5°
N3	C14	C10	S1	0.9°	0.2°
N3	C14	C13	H9	1.1°	0.9°
C9	N3	C14	C10	0.7°	0.5°
N3	C9	C8	S1	179.3°	179.6°
N3	C9	C8	N1	167.6°	0.4°
N3	C9	S1	C10	0.3°	0.3°
C14	C10	S1	C9	0.7°	0.1°
C14	C10	C11	C12	0.5°	0.3°
C14	C10	C11	S1	179.6°	179.7°
C14	C10	C11	H7	179.5°	179.7°
C10	C14	C13	H9	178.9°	179.7°
C8	C9	S1	C10	179.0°	180.0°
C9	C8	N1	C7	179.2°	180.0°
C9	C8	N1	H12	0.8°	0.1°
N1	C8	C9	S1	13.1°	180.0°
C8	N1	C7	S	6.7°	0.1°
C8	N1	C7	H12	180.0°	179.9°
C8	N1	C7	C4	173.8°	180.0°
C9	S1	C10	C11	179.0°	179.7°
C6	S	C7	N1	179.7°	179.8°
S	C6	C5	H11	180.0°	179.9°
C6	S	C7	C4	0.2°	0.3°
S	C6	C5	C4	0.4°	0.0°
S	C6	C5	H10	179.7°	179.9°
S	C7	N1	C4	179.5°	179.9°
C7	S	C6	C5	0.1°	0.2°
S	C7	C4	C5	0.4°	0.4°
S	C7	C4	C3	177.8°	179.9°
C7	S	C6	H11	179.9°	179.9°
S	C7	N1	H12	173.3°	179.8°
C12	C11	C10	H7	180.0°	180.0°
C12	C11	C10	S1	179.9°	179.9°
C10	C11	C12	H8	179.5°	180.0°
S1	C10	C11	H7	0.1°	0.1°
N1	C7	C4	C5	179.9°	179.7°
N1	C7	C4	C3	1.7°	0.0°
C6	C5	C4	C7	0.5°	0.2°
C6	C5	C4	H10	180.0°	180.0°
C6	C5	C4	C3	177.8°	180.0°
C7	C4	C5	C3	178.3°	179.7°
C7	C4	C3	N	4.4°	179.8°
C7	C4	C3	O2	176.9°	0.3°
C7	C4	C5	H10	179.5°	179.8°
C4	C7	N1	H12	6.2°	0.1°
C5	C4	C3	N	177.6°	0.0°
C5	C4	C3	O2	1.1°	180.0°
C4	C5	C6	H11	179.6°	180.0°
C4	C3	N	O2	178.7°	180.0°
C4	C3	N	C2	179.2°	180.0°
C4	C3	N	H1	0.8°	0.3°
C3	C4	C5	H10	2.1°	0.1°
C3	N	C2	H1	180.0°	179.7°
C3	N	C2	O	178.7°	179.8°
C3	N	C2	O1	2.7°	0.3°
O2	C3	N	C2	2.1°	0.0°
O2	C3	N	H1	177.9°	179.7°
N	C2	O	O1	178.7°	180.0°
N	C2	O	C1	179.4°	180.0°
C2	O	C1	C	166.8°	180.0°
O	C2	N	H1	1.3°	0.0°
C2	O	C1	H5	73.4°	60.0°
C2	O	C1	H6	47.0°	60.0°
C1	O	C2	O1	1.9°	0.0°
O	C1	C	H5	119.8°	120.1°
O	C1	C	H6	119.8°	120.0°
O	C1	C	H2	180.0°	59.9°
O	C1	C	H3	60.0°	180.0°
O	C1	C	H4	60.0°	60.0°
O	C1	H5	H6	120.5°	120.0°
O1	C2	N	H1	177.3°	180.0°
C1	C	H2	H3	120.0°	120.1°
C1	C	H2	H4	120.0°	120.0°
C1	C	H3	H4	120.0°	120.0°
C	C1	H5	H6	120.5°	120.0°
H2	C	H3	H4	120.0°	119.9°
H2	C	C1	H5	60.2°	180.0°
H2	C	C1	H6	60.2°	60.0°
H3	C	C1	H5	179.8°	59.9°
H3	C	C1	H6	59.8°	60.0°
H4	C	C1	H5	59.9°	60.1°
H4	C	C1	H6	179.8°	180.0°
H7	C11	C12	H8	0.5°	0.0°
H10	C5	C6	H11	0.3°	0.0°

Release date:	2017-09-13
Definition date:	2017-06-05
Last modified:	2017-09-08
Release status:	REL
Processing site:	RCSB
Derived from:	5W0C