56F

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL	C8	sing	1.74Å	1.81Å
C7	C8	doub	1.38Å	1.40Å	Aromatic
C7	C6	sing	1.38Å	1.39Å	Aromatic
C8	C9	sing	1.38Å	1.42Å	Aromatic
C6	C5	doub	1.38Å	1.42Å	Aromatic
C9	C10	doub	1.38Å	1.39Å	Aromatic
C5	C10	sing	1.38Å	1.41Å	Aromatic
C5	C4	sing	1.51Å	1.52Å
C4	S3	sing	1.81Å	1.71Å
OS1	S3	doub	1.42Å	1.46Å
S3	OS2	doub	1.42Å	1.44Å
S3	N2	sing	1.66Å	1.65Å
N2	C1	sing	1.47Å	1.45Å
N2	H1	sing	0.97Å	1.00Å
C6	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
C9	H4	sing	1.08Å	1.08Å
C10	H5	sing	1.08Å	1.08Å
C4	H6	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL	C8	C7	119.5°	120.0°
CL	C8	C9	118.3°	120.0°
C8	C7	C6	118.1°	120.0°
C7	C8	C9	122.2°	120.0°
C8	C7	H3	121.0°	120.0°
C7	C6	C5	119.6°	120.0°
C7	C6	H2	120.2°	119.9°
C6	C7	H3	120.9°	120.1°
C8	C9	C10	120.1°	120.0°
C8	C9	H4	120.0°	120.0°
C6	C5	C10	122.2°	120.0°
C6	C5	C4	118.9°	120.0°
C5	C6	H2	120.2°	120.0°
C9	C10	C5	117.8°	120.0°
C10	C9	H4	120.0°	120.1°
C9	C10	H5	121.1°	120.0°
C10	C5	C4	118.9°	120.0°
C5	C10	H5	121.1°	120.0°
C5	C4	S3	109.0°	109.5°
C5	C4	H6	109.6°	109.4°
C5	C4	H7	109.6°	109.4°
C4	S3	OS1	111.4°	110.5°
C4	S3	OS2	105.3°	110.5°
C4	S3	N2	109.3°	104.5°
S3	C4	H6	109.6°	109.5°
S3	C4	H7	109.6°	109.5°
OS1	S3	OS2	101.8°	121.0°
OS1	S3	N2	111.7°	104.3°
OS2	S3	N2	117.1°	104.3°
S3	N2	C1	122.4°	120.0°
S3	N2	H1	106.2°	120.0°
C1	N2	H1	106.1°	120.0°
N2	C1	H8	109.5°	109.4°
N2	C1	H9	109.5°	109.5°
N2	C1	H10	109.5°	109.5°
H6	C4	H7	109.5°	109.5°
H8	C1	H9	109.5°	109.5°
H8	C1	H10	109.5°	109.5°
H9	C1	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL	C8	C7	C9	178.0°	180.0°
CL	C8	C7	C6	176.6°	180.0°
CL	C8	C9	C10	176.4°	179.7°
CL	C8	C7	H3	3.4°	0.0°
CL	C8	C9	H4	3.5°	0.3°
C8	C7	C6	H3	180.0°	180.0°
C8	C7	C6	C5	0.3°	0.0°
C7	C8	C9	C10	1.6°	0.3°
C8	C7	C6	H2	179.7°	179.8°
C7	C8	C9	H4	178.4°	179.7°
C6	C7	C8	C9	1.4°	0.0°
C7	C6	C5	H2	180.0°	179.7°
C7	C6	C5	C10	0.6°	0.3°
C7	C6	C5	C4	179.2°	179.7°
C8	C9	C10	H4	180.0°	179.4°
C8	C9	C10	C5	0.7°	0.6°
C9	C8	C7	H3	178.6°	180.0°
C8	C9	C10	H5	179.3°	179.4°
C6	C5	C10	C9	0.4°	0.6°
C6	C5	C10	C4	179.7°	180.0°
C6	C5	C4	S3	107.2°	90.0°
C5	C6	C7	H3	179.7°	180.0°
C6	C5	C10	H5	179.6°	179.4°
C6	C5	C4	H6	132.8°	150.0°
C6	C5	C4	H7	12.7°	30.1°
C9	C10	C5	H5	180.0°	180.0°
C9	C10	C5	C4	179.4°	179.5°
C10	C5	C4	S3	72.5°	90.0°
C10	C5	C6	H2	179.4°	180.0°
C5	C10	C9	H4	179.3°	180.0°
C10	C5	C4	H6	47.4°	30.0°
C10	C5	C4	H7	167.6°	150.0°
C5	C4	S3	H6	119.9°	120.0°
C5	C4	S3	H7	119.9°	120.0°
C5	C4	S3	OS1	41.4°	68.3°
C5	C4	S3	OS2	151.0°	68.3°
C5	C4	S3	N2	82.5°	180.0°
C4	C5	C6	H2	0.8°	0.0°
C4	C5	C10	H5	0.6°	0.6°
C5	C4	H6	H7	120.2°	119.9°
C4	S3	OS1	OS2	111.8°	131.5°
C4	S3	OS1	N2	122.6°	111.8°
C4	S3	OS2	N2	121.6°	111.8°
C4	S3	N2	C1	79.9°	65.0°
C4	S3	N2	H1	158.3°	115.2°
S3	C4	H6	H7	120.2°	120.0°
OS1	S3	OS2	N2	122.0°	116.8°
OS1	S3	N2	C1	156.3°	178.9°
OS1	S3	N2	H1	34.5°	0.8°
OS1	S3	C4	H6	161.4°	51.7°
OS1	S3	C4	H7	78.5°	171.7°
OS2	S3	N2	C1	39.6°	51.1°
OS2	S3	N2	H1	82.2°	128.7°
OS2	S3	C4	H6	89.1°	171.7°
OS2	S3	C4	H7	31.1°	51.7°
S3	N2	C1	H1	121.8°	179.8°
N2	S3	C4	H6	37.4°	60.0°
N2	S3	C4	H7	157.6°	60.0°
S3	N2	C1	H8	180.0°	179.8°
S3	N2	C1	H9	60.0°	60.2°
S3	N2	C1	H10	60.0°	59.7°
N2	C1	H8	H9	120.0°	120.0°
N2	C1	H8	H10	120.0°	120.0°
N2	C1	H9	H10	120.0°	120.0°
H1	N2	C1	H8	58.2°	0.0°
H1	N2	C1	H9	178.2°	120.0°
H1	N2	C1	H10	61.8°	120.0°
H2	C6	C7	H3	0.3°	0.3°
H4	C9	C10	H5	0.7°	0.0°
H8	C1	H9	H10	120.0°	120.0°

Release date:	2016-08-03
Definition date:	2015-08-04
Last modified:	2016-07-29
Release status:	REL
Processing site:	PDBJ
Derived from:	5CVP