118

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
SB	C1A	sing	0.00Å	1.90Å
SB	C1C	sing	0.00Å	1.99Å
SB	C1D	sing	0.00Å	1.88Å
SB	C1B	sing	0.00Å	1.85Å
C1A	C2A	sing	0.00Å	1.41Å	Aromatic
C1A	C6A	doub	0.00Å	1.42Å	Aromatic
C2A	C3A	doub	0.00Å	1.39Å	Aromatic
C2A	H2A	sing	0.00Å	1.10Å
C3A	C4A	sing	0.00Å	1.41Å	Aromatic
C3A	H3A	sing	0.00Å	1.10Å
C4A	C5A	doub	0.00Å	1.40Å	Aromatic
C4A	H4A	sing	0.00Å	1.10Å
C5A	C6A	sing	0.00Å	1.39Å	Aromatic
C5A	H5A	sing	0.00Å	1.10Å
C6A	H6A	sing	0.00Å	1.10Å
C1C	C6C	sing	0.00Å	1.40Å	Aromatic
C1C	C2C	doub	0.00Å	1.40Å	Aromatic
C6C	C5C	doub	0.00Å	1.38Å	Aromatic
C6C	H6C	sing	0.00Å	1.10Å
C5C	C4C	sing	0.00Å	1.39Å	Aromatic
C5C	H5C	sing	0.00Å	1.10Å
C4C	C3C	doub	0.00Å	1.38Å	Aromatic
C4C	H4C	sing	0.00Å	1.10Å
C3C	C2C	sing	0.00Å	1.39Å	Aromatic
C3C	H3C	sing	0.00Å	1.10Å
C2C	H2C	sing	0.00Å	1.10Å
C1D	C6D	sing	0.00Å	1.41Å	Aromatic
C1D	C2D	doub	0.00Å	1.41Å	Aromatic
C6D	C5D	doub	0.00Å	1.37Å	Aromatic
C6D	H6D	sing	0.00Å	1.10Å
C5D	C4D	sing	0.00Å	1.40Å	Aromatic
C5D	H5D	sing	0.00Å	1.10Å
C4D	C3D	doub	0.00Å	1.40Å	Aromatic
C4D	H4D	sing	0.00Å	1.10Å
C3D	C2D	sing	0.00Å	1.36Å	Aromatic
C3D	H3D	sing	0.00Å	1.10Å
C2D	H2D	sing	0.00Å	1.10Å
C6B	C5B	doub	0.00Å	1.37Å	Aromatic
C6B	C1B	sing	0.00Å	1.40Å	Aromatic
C6B	H6B	sing	0.00Å	1.10Å
C5B	C4B	sing	0.00Å	1.43Å	Aromatic
C5B	H5B	sing	0.00Å	1.10Å
C4B	C3B	doub	0.00Å	1.39Å	Aromatic
C4B	H4B	sing	0.00Å	1.10Å
C3B	C2B	sing	0.00Å	1.35Å	Aromatic
C3B	H3B	sing	0.00Å	1.10Å
C2B	C1B	doub	0.00Å	1.42Å	Aromatic
C2B	H2B	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1A	SB	C1C	110.2°	90.0°
C1A	SB	C1D	107.5°	90.0°
C1A	SB	C1B	114.4°	90.0°
SB	C1A	C2A	122.7°	90.0°
SB	C1A	C6A	118.0°	90.0°
C1C	SB	C1D	110.7°	90.0°
C1C	SB	C1B	102.1°	90.0°
SB	C1C	C6C	118.3°	90.0°
SB	C1C	C2C	123.2°	90.0°
C1D	SB	C1B	111.9°	90.0°
SB	C1D	C6D	117.8°	90.0°
SB	C1D	C2D	122.8°	90.0°
SB	C1B	C6B	119.1°	90.0°
SB	C1B	C2B	120.9°	90.0°
C2A	C1A	C6A	119.2°	90.0°
C1A	C2A	C3A	120.2°	90.0°
C1A	C2A	H2A	120.7°	90.0°
C1A	C6A	C5A	120.7°	90.0°
C1A	C6A	H6A	120.7°	90.0°
C3A	C2A	H2A	119.1°	90.0°
C2A	C3A	C4A	119.9°	90.0°
C2A	C3A	H3A	119.1°	90.0°
C4A	C3A	H3A	121.0°	90.0°
C3A	C4A	C5A	120.5°	90.0°
C3A	C4A	H4A	120.3°	90.0°
C5A	C4A	H4A	119.2°	90.0°
C4A	C5A	C6A	119.5°	90.0°
C4A	C5A	H5A	120.7°	90.0°
C6A	C5A	H5A	119.9°	90.0°
C5A	C6A	H6A	118.6°	90.0°
C6C	C1C	C2C	118.5°	90.0°
C1C	C6C	C5C	120.7°	90.0°
C1C	C6C	H6C	120.6°	90.0°
C1C	C2C	C3C	120.5°	90.0°
C1C	C2C	H2C	120.1°	90.0°
C5C	C6C	H6C	118.7°	90.0°
C6C	C5C	C4C	120.2°	90.0°
C6C	C5C	H5C	119.5°	90.0°
C4C	C5C	H5C	120.2°	90.0°
C5C	C4C	C3C	120.1°	90.0°
C5C	C4C	H4C	120.2°	90.0°
C3C	C4C	H4C	119.8°	90.0°
C4C	C3C	C2C	120.0°	90.0°
C4C	C3C	H3C	119.6°	90.0°
C2C	C3C	H3C	120.3°	90.0°
C3C	C2C	H2C	119.4°	90.0°
C6D	C1D	C2D	119.5°	90.0°
C1D	C6D	C5D	119.9°	90.0°
C1D	C6D	H6D	121.3°	90.0°
C1D	C2D	C3D	120.6°	90.0°
C1D	C2D	H2D	121.8°	90.0°
C5D	C6D	H6D	118.8°	90.0°
C6D	C5D	C4D	119.5°	90.0°
C6D	C5D	H5D	119.1°	90.0°
C4D	C5D	H5D	121.4°	90.0°
C5D	C4D	C3D	120.9°	90.0°
C5D	C4D	H4D	119.8°	90.0°
C3D	C4D	H4D	119.3°	90.0°
C4D	C3D	C2D	119.5°	90.0°
C4D	C3D	H3D	121.8°	90.0°
C2D	C3D	H3D	118.7°	90.0°
C3D	C2D	H2D	117.6°	90.0°
C5B	C6B	C1B	119.3°	90.0°
C5B	C6B	H6B	119.3°	90.0°
C6B	C5B	C4B	119.6°	90.0°
C6B	C5B	H5B	118.1°	90.0°
C1B	C6B	H6B	121.5°	90.0°
C6B	C1B	C2B	120.0°	90.0°
C4B	C5B	H5B	122.3°	90.0°
C5B	C4B	C3B	121.0°	90.0°
C5B	C4B	H4B	120.9°	90.0°
C3B	C4B	H4B	118.2°	90.0°
C4B	C3B	C2B	119.0°	90.0°
C4B	C3B	H3B	122.2°	90.0°
C2B	C3B	H3B	118.8°	90.0°
C3B	C2B	C1B	121.2°	90.0°
C3B	C2B	H2B	116.5°	90.0°
C1B	C2B	H2B	122.3°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1A	SB	C1C	C1D	118.8°	90.0°
C1A	SB	C1C	C1B	121.9°	90.0°
C1A	SB	C1D	C1B	126.4°	90.0°
SB	C1A	C2A	C6A	179.5°	90.0°
SB	C1A	C2A	C3A	180.0°	90.0°
SB	C1A	C2A	H2A	0.0°	90.0°
SB	C1A	C6A	C5A	180.0°	90.0°
SB	C1A	C6A	H6A	0.1°	90.0°
C1A	SB	C1C	C6C	37.8°	90.0°
C1A	SB	C1C	C2C	143.6°	90.0°
C1A	SB	C1D	C6D	87.9°	90.0°
C1A	SB	C1D	C2D	91.6°	90.0°
C1A	SB	C1B	C6B	57.1°	90.0°
C1A	SB	C1B	C2B	122.6°	90.0°
C1C	SB	C1D	C1B	113.2°	90.0°
C1C	SB	C1A	C2A	175.9°	90.0°
C1C	SB	C1A	C6A	3.6°	90.0°
SB	C1C	C6C	C2C	178.7°	90.0°
SB	C1C	C6C	C5C	179.4°	90.0°
SB	C1C	C6C	H6C	0.5°	90.0°
SB	C1C	C2C	C3C	179.6°	90.0°
SB	C1C	C2C	H2C	0.4°	90.0°
C1C	SB	C1D	C6D	151.6°	90.0°
C1C	SB	C1D	C2D	28.8°	90.0°
C1C	SB	C1B	C6B	176.1°	90.0°
C1C	SB	C1B	C2B	3.6°	90.0°
C1D	SB	C1A	C2A	55.1°	90.0°
C1D	SB	C1A	C6A	124.4°	90.0°
C1D	SB	C1C	C6C	156.6°	90.0°
C1D	SB	C1C	C2C	24.8°	90.0°
SB	C1D	C6D	C2D	179.5°	90.0°
SB	C1D	C6D	C5D	180.0°	90.0°
SB	C1D	C6D	H6D	0.0°	90.0°
SB	C1D	C2D	C3D	179.8°	90.0°
SB	C1D	C2D	H2D	0.2°	90.0°
C1D	SB	C1B	C6B	65.5°	90.0°
C1D	SB	C1B	C2B	114.8°	90.0°
C1B	SB	C1A	C2A	69.8°	90.0°
C1B	SB	C1A	C6A	110.7°	90.0°
C1B	SB	C1C	C6C	84.2°	90.0°
C1B	SB	C1C	C2C	94.5°	90.0°
C1B	SB	C1D	C6D	38.5°	90.0°
C1B	SB	C1D	C2D	142.0°	90.0°
SB	C1B	C6B	C5B	179.7°	90.0°
SB	C1B	C6B	C2B	179.7°	90.0°
SB	C1B	C6B	H6B	0.2°	90.0°
SB	C1B	C2B	C3B	179.7°	90.0°
SB	C1B	C2B	H2B	0.2°	90.0°
C1A	C2A	C3A	H2A	180.0°	90.0°
C1A	C2A	C3A	C4A	0.3°	90.0°
C1A	C2A	C3A	H3A	179.7°	90.0°
C2A	C1A	C6A	C5A	0.5°	90.0°
C2A	C1A	C6A	H6A	179.6°	90.0°
C6A	C1A	C2A	C3A	0.5°	90.0°
C6A	C1A	C2A	H2A	179.5°	90.0°
C1A	C6A	C5A	C4A	0.2°	90.0°
C1A	C6A	C5A	H6A	180.0°	90.0°
C1A	C6A	C5A	H5A	179.8°	90.0°
C2A	C3A	C4A	H3A	180.0°	90.0°
C2A	C3A	C4A	C5A	0.0°	90.0°
C2A	C3A	C4A	H4A	180.0°	90.0°
H2A	C2A	C3A	C4A	179.7°	90.0°
H2A	C2A	C3A	H3A	0.3°	90.0°
C3A	C4A	C5A	H4A	180.0°	90.0°
C3A	C4A	C5A	C6A	0.1°	90.0°
C3A	C4A	C5A	H5A	180.0°	90.0°
H3A	C3A	C4A	C5A	180.0°	90.0°
H3A	C3A	C4A	H4A	0.0°	90.0°
C4A	C5A	C6A	H5A	180.0°	90.0°
C4A	C5A	C6A	H6A	179.9°	90.0°
H4A	C4A	C5A	C6A	179.9°	90.0°
H4A	C4A	C5A	H5A	0.1°	90.0°
H5A	C5A	C6A	H6A	0.2°	90.0°
C1C	C6C	C5C	H6C	180.0°	90.0°
C1C	C6C	C5C	C4C	0.1°	90.0°
C1C	C6C	C5C	H5C	179.9°	90.0°
C6C	C1C	C2C	C3C	0.9°	90.0°
C6C	C1C	C2C	H2C	179.0°	90.0°
C2C	C1C	C6C	C5C	0.7°	90.0°
C2C	C1C	C6C	H6C	179.2°	90.0°
C1C	C2C	C3C	C4C	0.6°	90.0°
C1C	C2C	C3C	H2C	180.0°	90.0°
C1C	C2C	C3C	H3C	179.5°	90.0°
C6C	C5C	C4C	H5C	180.0°	90.0°
C6C	C5C	C4C	C3C	0.3°	90.0°
C6C	C5C	C4C	H4C	179.7°	90.0°
H6C	C6C	C5C	C4C	179.8°	90.0°
H6C	C6C	C5C	H5C	0.1°	90.0°
C5C	C4C	C3C	H4C	180.0°	90.0°
C5C	C4C	C3C	C2C	0.1°	90.0°
C5C	C4C	C3C	H3C	179.9°	90.0°
H5C	C5C	C4C	C3C	179.7°	90.0°
H5C	C5C	C4C	H4C	0.3°	90.0°
C4C	C3C	C2C	H3C	180.0°	90.0°
C4C	C3C	C2C	H2C	179.4°	90.0°
H4C	C4C	C3C	C2C	179.9°	90.0°
H4C	C4C	C3C	H3C	0.1°	90.0°
H3C	C3C	C2C	H2C	0.5°	90.0°
C1D	C6D	C5D	H6D	180.0°	90.0°
C1D	C6D	C5D	C4D	0.5°	90.0°
C1D	C6D	C5D	H5D	179.5°	90.0°
C6D	C1D	C2D	C3D	0.3°	90.0°
C6D	C1D	C2D	H2D	179.7°	90.0°
C2D	C1D	C6D	C5D	0.5°	90.0°
C2D	C1D	C6D	H6D	179.5°	90.0°
C1D	C2D	C3D	C4D	0.0°	90.0°
C1D	C2D	C3D	H2D	180.0°	90.0°
C1D	C2D	C3D	H3D	180.0°	90.0°
C6D	C5D	C4D	H5D	180.0°	90.0°
C6D	C5D	C4D	C3D	0.2°	90.0°
C6D	C5D	C4D	H4D	179.8°	90.0°
H6D	C6D	C5D	C4D	179.6°	90.0°
H6D	C6D	C5D	H5D	0.4°	90.0°
C5D	C4D	C3D	H4D	180.0°	90.0°
C5D	C4D	C3D	C2D	0.0°	90.0°
C5D	C4D	C3D	H3D	180.0°	90.0°
H5D	C5D	C4D	C3D	179.8°	90.0°
H5D	C5D	C4D	H4D	0.2°	90.0°
C4D	C3D	C2D	H3D	180.0°	90.0°
C4D	C3D	C2D	H2D	180.0°	90.0°
H4D	C4D	C3D	C2D	179.9°	90.0°
H4D	C4D	C3D	H3D	0.0°	90.0°
H3D	C3D	C2D	H2D	0.0°	90.0°
C5B	C6B	C1B	H6B	180.0°	90.0°
C6B	C5B	C4B	H5B	179.9°	90.0°
C6B	C5B	C4B	C3B	0.0°	90.0°
C6B	C5B	C4B	H4B	180.0°	90.0°
C5B	C6B	C1B	C2B	0.0°	90.0°
C1B	C6B	C5B	C4B	0.0°	90.0°
C1B	C6B	C5B	H5B	180.0°	90.0°
C6B	C1B	C2B	C3B	0.0°	90.0°
C6B	C1B	C2B	H2B	180.0°	90.0°
H6B	C6B	C5B	C4B	179.9°	90.0°
H6B	C6B	C5B	H5B	0.0°	90.0°
H6B	C6B	C1B	C2B	180.0°	90.0°
C5B	C4B	C3B	H4B	180.0°	90.0°
C5B	C4B	C3B	C2B	0.0°	90.0°
C5B	C4B	C3B	H3B	180.0°	90.0°
H5B	C5B	C4B	C3B	180.0°	90.0°
H5B	C5B	C4B	H4B	0.0°	90.0°
C4B	C3B	C2B	H3B	180.0°	90.0°
C4B	C3B	C2B	C1B	0.0°	90.0°
C4B	C3B	C2B	H2B	180.0°	90.0°
H4B	C4B	C3B	C2B	180.0°	90.0°
H4B	C4B	C3B	H3B	0.0°	90.0°
C3B	C2B	C1B	H2B	180.0°	90.0°
H3B	C3B	C2B	C1B	180.0°	90.0°
H3B	C3B	C2B	H2B	0.0°	90.0°

Definition date:	2000-05-09
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ
Derived from:	1EXI