7N3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N3	C14	sing	1.35Å	1.34Å
C14	O1	doub	1.22Å	1.21Å
C14	C13	sing	1.47Å	1.47Å
C11	C13	sing	1.45Å	1.39Å	Aromatic
C11	C12	doub	1.33Å	1.39Å	Aromatic
C13	C10	doub	1.37Å	1.48Å	Aromatic
C5	C7	doub	1.39Å	1.37Å	Aromatic
C5	C4	sing	1.38Å	1.36Å	Aromatic
C12	S1	sing	1.75Å	1.74Å	Aromatic
C7	C6	sing	1.38Å	1.39Å	Aromatic
C4	C	doub	1.40Å	1.37Å	Aromatic
C10	S1	sing	1.70Å	1.72Å	Aromatic
C10	N2	sing	1.39Å	1.35Å
C6	C1	doub	1.39Å	1.41Å	Aromatic
N2	C9	sing	1.35Å	1.33Å
C	C1	sing	1.41Å	1.47Å	Aromatic
C	N	sing	1.35Å	1.36Å
C1	C2	sing	1.47Å	1.47Å
N	C3	doub	1.31Å	1.34Å
C9	O	doub	1.21Å	1.21Å
C9	C8	sing	1.51Å	1.52Å
C8	S	sing	1.81Å	1.76Å
C2	O2	doub	1.22Å	1.23Å
C2	N1	sing	1.35Å	1.32Å
C3	N1	sing	1.37Å	1.33Å
C3	S	sing	1.76Å	1.74Å
C6	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.08Å	1.08Å
C5	H3	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C8	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
N2	H8	sing	0.97Å	1.00Å
C12	H9	sing	1.08Å	1.08Å
C11	H10	sing	1.08Å	1.08Å
N3	H11	sing	0.97Å	1.00Å
N3	H12	sing	0.97Å	1.00Å
N1	H5	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N3	C14	O1	119.9°	120.0°
N3	C14	C13	118.6°	120.0°
C14	N3	H11	120.0°	120.0°
C14	N3	H12	120.0°	120.0°
O1	C14	C13	121.2°	120.1°
C14	C13	C11	125.7°	123.6°
C14	C13	C10	120.3°	123.5°
C13	C11	C12	110.8°	113.2°
C11	C13	C10	114.0°	112.8°
C13	C11	H10	124.6°	123.4°
C11	C12	S1	114.1°	110.8°
C11	C12	H9	122.9°	124.6°
C12	C11	H10	124.6°	123.4°
C13	C10	S1	109.2°	110.6°
C13	C10	N2	120.4°	124.7°
C7	C5	C4	123.4°	120.8°
C5	C7	C6	118.8°	120.6°
C5	C7	H2	120.6°	119.7°
C7	C5	H3	118.3°	119.6°
C5	C4	C	119.7°	119.7°
C4	C5	H3	118.3°	119.6°
C5	C4	H4	120.2°	120.1°
C12	S1	C10	91.8°	92.6°
S1	C12	H9	122.9°	124.6°
C7	C6	C1	121.1°	119.6°
C7	C6	H1	119.4°	120.2°
C6	C7	H2	120.6°	119.7°
C4	C	C1	119.7°	119.3°
C4	C	N	118.9°	121.6°
C	C4	H4	120.1°	120.2°
S1	C10	N2	130.2°	124.7°
C10	N2	C9	119.6°	120.0°
C10	N2	H8	120.2°	120.0°
C6	C1	C	117.2°	120.0°
C6	C1	C2	127.1°	121.8°
C1	C6	H1	119.5°	120.2°
N2	C9	O	120.9°	120.0°
N2	C9	C8	115.2°	120.0°
C9	N2	H8	120.2°	120.0°
C1	C	N	121.3°	119.1°
C	C1	C2	115.6°	118.2°
C	N	C3	117.4°	121.6°
C1	C2	O2	118.1°	121.2°
C1	C2	N1	117.6°	117.6°
N	C3	N1	124.1°	123.1°
N	C3	S	119.4°	118.5°
O	C9	C8	123.9°	120.0°
C9	C8	S	113.4°	109.5°
C9	C8	H6	108.5°	109.4°
C9	C8	H7	108.5°	109.5°
C8	S	C3	101.9°	100.0°
S	C8	H6	108.5°	109.5°
S	C8	H7	108.5°	109.5°
O2	C2	N1	124.3°	121.1°
C2	N1	C3	123.7°	120.5°
C2	N1	H5	118.1°	119.8°
N1	C3	S	115.9°	118.4°
C3	N1	H5	118.2°	119.7°
H6	C8	H7	109.5°	109.5°
H11	N3	H12	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N3	C14	O1	C13	173.3°	180.0°
N3	C14	C13	C11	1.9°	0.1°
N3	C14	C13	C10	179.0°	179.5°
C14	N3	H11	H12	180.0°	180.0°
O1	C14	C13	C11	175.3°	180.0°
O1	C14	C13	C10	5.6°	0.5°
O1	C14	N3	H11	0.0°	0.0°
O1	C14	N3	H12	180.0°	180.0°
C14	C13	C11	C10	179.2°	179.6°
C14	C13	C11	C12	178.7°	180.0°
C14	C13	C10	S1	178.0°	180.0°
C14	C13	C10	N2	2.5°	0.2°
C14	C13	C11	H10	1.3°	0.5°
C13	C14	N3	H11	173.5°	180.0°
C13	C14	N3	H12	6.5°	0.0°
C13	C11	C12	H10	180.0°	179.5°
C13	C11	C12	S1	0.5°	0.2°
C11	C13	C10	S1	2.8°	0.4°
C11	C13	C10	N2	178.3°	179.8°
C13	C11	C12	H9	179.5°	179.8°
C12	C11	C13	C10	2.1°	0.4°
C11	C12	S1	H9	180.0°	180.0°
C11	C12	S1	C10	1.0°	0.0°
C13	C10	S1	C12	2.1°	0.3°
C13	C10	S1	N2	174.9°	179.7°
C13	C10	N2	C9	171.4°	179.8°
C13	C10	N2	H8	8.6°	0.3°
C10	C13	C11	H10	177.8°	180.0°
C7	C5	C4	H3	180.0°	180.0°
C5	C7	C6	H2	180.0°	180.0°
C7	C5	C4	C	4.5°	0.0°
C5	C7	C6	C1	2.6°	0.0°
C5	C7	C6	H1	177.4°	180.0°
C7	C5	C4	H4	175.5°	180.0°
C4	C5	C7	C6	3.8°	0.0°
C5	C4	C	H4	180.0°	180.0°
C5	C4	C	C1	3.8°	0.0°
C5	C4	C	N	178.8°	180.0°
C4	C5	C7	H2	176.2°	180.0°
C12	S1	C10	N2	177.0°	180.0°
S1	C12	C11	H10	179.5°	179.8°
C7	C6	C1	H1	180.0°	180.0°
C7	C6	C1	C	2.1°	0.0°
C7	C6	C1	C2	178.9°	180.0°
C6	C7	C5	H3	176.2°	180.0°
C4	C	C1	C6	2.7°	0.0°
C4	C	C1	N	177.3°	180.0°
C4	C	C1	C2	179.8°	179.9°
C4	C	N	C3	178.9°	179.6°
C	C4	C5	H3	175.5°	179.9°
S1	C10	N2	C9	3.0°	0.1°
S1	C10	N2	H8	176.9°	180.0°
C10	S1	C12	H9	179.0°	180.0°
C10	N2	C9	H8	180.0°	179.9°
C10	N2	C9	O	4.9°	0.1°
C10	N2	C9	C8	174.0°	180.0°
C6	C1	C	C2	177.1°	179.9°
C6	C1	C	N	179.9°	180.0°
C6	C1	C2	O2	1.5°	0.1°
C6	C1	C2	N1	179.6°	179.7°
C1	C6	C7	H2	177.4°	179.9°
N2	C9	O	C8	178.8°	179.9°
N2	C9	C8	S	148.1°	179.9°
N2	C9	C8	H6	91.3°	60.0°
N2	C9	C8	H7	27.5°	60.0°
C1	C	N	C3	3.8°	0.4°
C	C1	C2	O2	178.2°	180.0°
C	C1	C2	N1	2.8°	0.2°
C	C1	C6	H1	177.9°	180.0°
C1	C	C4	H4	176.2°	180.0°
N	C	C1	C2	2.8°	0.1°
C	N	C3	N1	5.0°	0.5°
C	N	C3	S	176.1°	179.7°
N	C	C4	H4	1.2°	0.0°
C1	C2	O2	N1	178.9°	179.8°
C1	C2	N1	C3	4.1°	0.2°
C2	C1	C6	H1	1.2°	0.1°
C1	C2	N1	H5	175.9°	179.7°
N	C3	S	C8	21.1°	0.1°
N	C3	N1	C2	5.4°	0.2°
N	C3	N1	S	171.4°	179.9°
N	C3	N1	H5	174.6°	180.0°
O	C9	C8	S	33.0°	0.0°
O	C9	C8	H6	87.6°	120.0°
O	C9	C8	H7	153.6°	120.0°
O	C9	N2	H8	175.1°	180.0°
C9	C8	S	H6	120.6°	120.0°
C9	C8	S	H7	120.6°	120.0°
C9	C8	S	C3	84.3°	180.0°
C9	C8	H6	H7	118.2°	120.0°
C8	C9	N2	H8	6.0°	0.1°
C8	S	C3	N1	167.0°	180.0°
S	C8	H6	H7	118.2°	120.0°
O2	C2	N1	C3	177.0°	180.0°
O2	C2	N1	H5	3.0°	0.1°
C2	N1	C3	H5	180.0°	179.9°
C2	N1	C3	S	176.8°	180.0°
C3	S	C8	H6	155.1°	60.1°
C3	S	C8	H7	36.3°	60.0°
S	C3	N1	H5	3.2°	0.1°
H1	C6	C7	H2	2.6°	0.0°
H2	C7	C5	H3	3.8°	0.0°
H3	C5	C4	H4	4.5°	0.0°
H9	C12	C11	H10	0.5°	0.3°

Release date:	2017-09-06
Definition date:	2016-12-01
Last modified:	2017-09-01
Release status:	REL
Processing site:	PDBJ
Derived from:	5WQJ