7NC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C12	doub	1.36Å	1.39Å	Aromatic
C10	C9	sing	1.41Å	1.39Å	Aromatic
C16	C9	doub	1.40Å	1.39Å	Aromatic
C16	C15	sing	1.36Å	1.39Å	Aromatic
C12	C11	sing	1.39Å	1.39Å	Aromatic
C9	C	sing	1.42Å	1.49Å	Aromatic
C15	C14	doub	1.39Å	1.39Å	Aromatic
C11	C1	doub	1.39Å	1.39Å	Aromatic
C8	C5	sing	1.51Å	1.49Å
C	C1	sing	1.46Å	1.50Å	Aromatic
C	C13	doub	1.40Å	1.41Å	Aromatic
C14	C13	sing	1.36Å	1.38Å	Aromatic
C1	C2	sing	1.47Å	1.50Å
C5	C6	doub	1.37Å	1.36Å
C5	N	sing	1.33Å	1.34Å
C6	C7	sing	1.41Å	1.38Å
C2	O1	doub	1.21Å	1.25Å
C2	C3	sing	1.51Å	1.51Å
N	C4	doub	1.32Å	1.34Å
C3	S	sing	1.81Å	1.75Å
C7	O	doub	1.22Å	1.26Å
C7	N1	sing	1.35Å	1.31Å
C4	N1	sing	1.36Å	1.34Å
C4	S	sing	1.76Å	1.73Å
C3	H1	sing	1.09Å	1.10Å
C3	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.08Å	1.08Å
C8	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C11	H8	sing	1.08Å	1.08Å
C12	H9	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C16	H11	sing	1.08Å	1.08Å
C15	H12	sing	1.08Å	1.08Å
C14	H13	sing	1.08Å	1.08Å
C13	H14	sing	1.08Å	1.08Å
N1	H16	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	C10	C9	121.2°	120.8°
C10	C12	C11	121.1°	121.8°
C10	C12	H9	119.5°	119.0°
C12	C10	H10	119.4°	119.6°
C10	C9	C16	119.7°	121.3°
C10	C9	C	120.2°	119.4°
C9	C10	H10	119.4°	119.6°
C9	C16	C15	116.3°	119.6°
C16	C9	C	120.1°	119.3°
C9	C16	H11	121.8°	120.2°
C16	C15	C14	124.5°	120.9°
C15	C16	H11	121.9°	120.2°
C16	C15	H12	117.7°	119.5°
C12	C11	C1	122.7°	120.6°
C12	C11	H8	118.7°	119.7°
C11	C12	H9	119.5°	119.1°
C9	C	C1	116.3°	118.9°
C9	C	C13	119.8°	119.6°
C15	C14	C13	121.1°	120.9°
C14	C15	H12	117.8°	119.5°
C15	C14	H13	119.5°	119.5°
C11	C1	C	118.4°	118.6°
C11	C1	C2	120.5°	120.7°
C1	C11	H8	118.7°	119.7°
C8	C5	C6	118.3°	119.9°
C8	C5	N	119.2°	120.0°
C5	C8	H5	109.5°	109.5°
C5	C8	H6	109.5°	109.4°
C5	C8	H7	109.5°	109.5°
C1	C	C13	123.8°	121.5°
C	C1	C2	121.0°	120.7°
C	C13	C14	117.9°	119.6°
C	C13	H14	121.0°	120.2°
C13	C14	H13	119.4°	119.5°
C14	C13	H14	121.1°	120.2°
C1	C2	O1	119.6°	120.0°
C1	C2	C3	120.6°	120.0°
C6	C5	N	122.4°	120.1°
C5	C6	C7	118.4°	119.0°
C5	C6	H3	120.8°	120.5°
C5	N	C4	118.0°	121.4°
C6	C7	O	121.3°	120.7°
C6	C7	N1	117.9°	118.7°
C7	C6	H3	120.8°	120.5°
O1	C2	C3	119.7°	120.0°
C2	C3	S	109.3°	109.5°
C2	C3	H1	109.5°	109.5°
C2	C3	H2	109.5°	109.5°
N	C4	N1	119.7°	121.1°
N	C4	S	118.4°	119.5°
C3	S	C4	102.7°	100.0°
S	C3	H1	109.5°	109.4°
S	C3	H2	109.5°	109.5°
O	C7	N1	120.7°	120.6°
C7	N1	C4	123.6°	119.8°
C7	N1	H16	118.2°	120.1°
N1	C4	S	121.8°	119.4°
C4	N1	H16	118.2°	120.1°
H1	C3	H2	109.5°	109.4°
H5	C8	H6	109.4°	109.5°
H5	C8	H7	109.5°	109.5°
H6	C8	H7	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C10	C9	H10	180.0°	180.0°
C12	C10	C9	C16	177.8°	180.0°
C10	C12	C11	H9	180.0°	179.9°
C12	C10	C9	C	3.6°	0.3°
C10	C12	C11	C1	4.1°	0.1°
C10	C12	C11	H8	175.9°	180.0°
C10	C9	C16	C	178.6°	179.8°
C10	C9	C16	C15	179.0°	180.0°
C9	C10	C12	C11	5.1°	0.1°
C10	C9	C	C1	1.1°	0.6°
C10	C9	C	C13	179.2°	179.6°
C9	C10	C12	H9	174.9°	180.0°
C10	C9	C16	H11	1.0°	0.0°
C9	C16	C15	H11	180.0°	180.0°
C9	C16	C15	C14	4.7°	0.0°
C16	C9	C	C1	179.8°	179.7°
C16	C9	C	C13	2.2°	0.6°
C16	C9	C10	H10	2.2°	0.0°
C9	C16	C15	H12	175.3°	180.0°
C15	C16	C9	C	2.4°	0.3°
C16	C15	C14	H12	180.0°	180.0°
C16	C15	C14	C13	6.8°	0.0°
C16	C15	C14	H13	173.2°	180.0°
C12	C11	C1	H8	180.0°	179.9°
C12	C11	C1	C	1.7°	0.2°
C12	C11	C1	C2	176.0°	180.0°
C11	C12	C10	H10	175.0°	180.0°
C9	C	C1	C11	0.2°	0.5°
C9	C	C1	C13	177.9°	179.1°
C9	C	C13	C14	3.9°	0.7°
C9	C	C1	C2	177.4°	179.7°
C	C9	C10	H10	176.5°	179.7°
C	C9	C16	H11	177.6°	179.7°
C9	C	C13	H14	176.0°	179.7°
C15	C14	C13	C	6.1°	0.4°
C15	C14	C13	H13	180.0°	179.9°
C14	C15	C16	H11	175.3°	180.0°
C15	C14	C13	H14	173.8°	180.0°
C11	C1	C	C2	177.6°	179.8°
C11	C1	C	C13	178.1°	179.6°
C11	C1	C2	O1	157.2°	174.4°
C11	C1	C2	C3	19.8°	6.0°
C1	C11	C12	H9	175.9°	180.0°
C8	C5	C6	N	176.1°	179.8°
C8	C5	C6	C7	175.8°	180.0°
C8	C5	N	C4	177.1°	179.7°
C8	C5	C6	H3	4.2°	0.0°
C5	C8	H5	H6	120.0°	120.0°
C5	C8	H5	H7	120.0°	120.0°
C5	C8	H6	H7	120.0°	120.0°
C1	C	C13	C14	178.2°	179.7°
C	C1	C2	O1	25.2°	5.8°
C	C1	C2	C3	157.8°	173.8°
C	C1	C11	H8	178.3°	179.7°
C1	C	C13	H14	1.8°	0.6°
C	C13	C14	H14	180.0°	179.7°
C13	C	C1	C2	0.5°	0.6°
C	C13	C14	H13	173.9°	179.7°
C13	C14	C15	H12	173.2°	180.0°
C1	C2	O1	C3	177.0°	179.6°
C1	C2	C3	S	165.8°	179.7°
C1	C2	C3	H1	74.2°	59.6°
C1	C2	C3	H2	45.8°	60.3°
C2	C1	C11	H8	4.1°	0.1°
C5	C6	C7	H3	180.0°	180.0°
C6	C5	N	C4	1.1°	0.5°
C5	C6	C7	O	176.8°	180.0°
C5	C6	C7	N1	0.3°	0.0°
C6	C5	C8	H5	176.2°	90.0°
C6	C5	C8	H6	63.8°	150.0°
C6	C5	C8	H7	56.2°	30.0°
N	C5	C6	C7	0.3°	0.2°
C5	N	C4	N1	2.4°	0.5°
C5	N	C4	S	179.8°	179.8°
N	C5	C6	H3	179.7°	179.8°
N	C5	C8	H5	0.0°	89.8°
N	C5	C8	H6	120.0°	30.3°
N	C5	C8	H7	120.0°	150.2°
C6	C7	O	N1	176.4°	179.9°
C6	C7	N1	C4	1.1°	0.1°
C6	C7	N1	H16	178.9°	180.0°
O1	C2	C3	S	11.2°	0.0°
O1	C2	C3	H1	108.8°	120.0°
O1	C2	C3	H2	131.2°	120.1°
C2	C3	S	H1	120.0°	120.1°
C2	C3	S	H2	120.0°	120.0°
C2	C3	S	C4	83.3°	180.0°
C2	C3	H1	H2	120.1°	120.0°
N	C4	S	C3	18.2°	0.3°
N	C4	N1	C7	2.5°	0.2°
N	C4	N1	S	177.7°	179.7°
N	C4	N1	H16	177.5°	179.8°
C3	S	C4	N1	164.1°	180.0°
S	C3	H1	H2	120.0°	119.9°
O	C7	N1	C4	175.4°	180.0°
O	C7	C6	H3	3.2°	0.0°
O	C7	N1	H16	4.6°	0.1°
C7	N1	C4	H16	180.0°	179.9°
C7	N1	C4	S	179.8°	179.9°
N1	C7	C6	H3	179.7°	179.9°
C4	S	C3	H1	156.7°	60.0°
C4	S	C3	H2	36.7°	59.9°
S	C4	N1	H16	0.2°	0.0°
H5	C8	H6	H7	119.9°	120.0°
H8	C11	C12	H9	4.2°	0.0°
H9	C12	C10	H10	5.1°	0.0°
H11	C16	C15	H12	4.7°	0.0°
H12	C15	C14	H13	6.8°	0.1°
H13	C14	C13	H14	6.2°	0.0°

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