ORI

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OA1	C4	sing	1.36Å	1.36Å
C6	C7	doub	1.36Å	1.40Å	Aromatic
C6	C5	sing	1.40Å	1.40Å	Aromatic
C4	C5	doub	1.41Å	1.49Å	Aromatic
C4	C3	sing	1.38Å	1.40Å	Aromatic
C7	C8	sing	1.39Å	1.40Å	Aromatic
C5	C10	sing	1.42Å	1.49Å	Aromatic
C3	C2	doub	1.38Å	1.40Å	Aromatic
C8	C9	doub	1.36Å	1.40Å	Aromatic
C10	C9	sing	1.40Å	1.40Å	Aromatic
C10	C1	doub	1.46Å	1.50Å	Aromatic
C2	C1	sing	1.39Å	1.40Å	Aromatic
C1	N1	sing	1.36Å	1.40Å
N1	N2	doub	1.29Å	1.26Å
N2	CB1	sing	1.37Å	1.40Å
CB1	CB2	doub	1.40Å	1.40Å	Aromatic
CB1	CB6	sing	1.40Å	1.39Å	Aromatic
CB2	CB3	sing	1.38Å	1.39Å	Aromatic
CB6	CB5	doub	1.38Å	1.39Å	Aromatic
CB3	CB4	doub	1.38Å	1.40Å	Aromatic
CB5	CB4	sing	1.38Å	1.40Å	Aromatic
CB4	SB	sing	1.76Å	1.60Å
OB4	SB	doub	1.42Å	1.49Å
SB	OB2	doub	1.42Å	1.49Å
SB	OB3	sing	1.52Å	1.50Å
CB5	H1	sing	1.08Å	1.08Å
CB6	H2	sing	1.08Å	1.08Å
CB3	H3	sing	1.08Å	1.08Å
CB2	H4	sing	1.08Å	1.08Å
C2	H5	sing	1.08Å	1.08Å
C3	H6	sing	1.08Å	1.08Å
OA1	H7	sing	0.97Å	0.95Å
C6	H8	sing	1.08Å	1.08Å
C7	H9	sing	1.08Å	1.08Å
C8	H10	sing	1.08Å	1.08Å
C9	H11	sing	1.08Å	1.08Å
OB3	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OA1	C4	C5	120.0°	119.8°
OA1	C4	C3	120.1°	119.8°
C4	OA1	H7	109.5°	114.0°
C7	C6	C5	119.2°	119.6°
C6	C7	C8	121.3°	121.0°
C7	C6	H8	120.4°	120.1°
C6	C7	H9	119.3°	119.5°
C6	C5	C4	122.5°	121.3°
C6	C5	C10	119.5°	119.3°
C5	C6	H8	120.4°	120.2°
C5	C4	C3	119.9°	120.5°
C4	C5	C10	118.0°	119.4°
C4	C3	C2	122.1°	121.6°
C4	C3	H6	118.9°	119.2°
C7	C8	C9	121.4°	120.9°
C8	C7	H9	119.3°	119.5°
C7	C8	H10	119.3°	119.5°
C5	C10	C9	119.2°	119.6°
C5	C10	C1	118.0°	119.0°
C3	C2	C1	122.3°	120.6°
C3	C2	H5	118.8°	119.7°
C2	C3	H6	118.9°	119.2°
C8	C9	C10	119.3°	119.6°
C9	C8	H10	119.3°	119.6°
C8	C9	H11	120.4°	120.2°
C9	C10	C1	122.8°	121.4°
C10	C9	H11	120.3°	120.2°
C10	C1	C2	119.6°	118.8°
C10	C1	N1	120.3°	120.6°
C2	C1	N1	120.0°	120.6°
C1	C2	H5	118.9°	119.7°
C1	N1	N2	120.2°	120.0°
N1	N2	CB1	119.1°	120.0°
N2	CB1	CB2	120.5°	120.2°
N2	CB1	CB6	119.1°	120.1°
CB2	CB1	CB6	120.5°	119.7°
CB1	CB2	CB3	120.0°	119.8°
CB1	CB2	H4	120.0°	120.1°
CB1	CB6	CB5	119.6°	119.8°
CB1	CB6	H2	120.2°	120.1°
CB2	CB3	CB4	119.5°	120.2°
CB2	CB3	H3	120.2°	119.9°
CB3	CB2	H4	120.0°	120.1°
CB6	CB5	CB4	120.0°	120.2°
CB6	CB5	H1	120.0°	119.9°
CB5	CB6	H2	120.2°	120.1°
CB3	CB4	CB5	120.4°	120.3°
CB3	CB4	SB	119.7°	119.8°
CB4	CB3	H3	120.2°	119.9°
CB5	CB4	SB	119.9°	119.9°
CB4	CB5	H1	120.0°	119.9°
CB4	SB	OB4	109.6°	106.4°
CB4	SB	OB2	109.4°	106.4°
CB4	SB	OB3	110.0°	107.2°
OB4	SB	OB2	108.2°	123.1°
OB4	SB	OB3	110.0°	106.4°
OB2	SB	OB3	109.6°	106.4°
SB	OB3	H12	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OA1	C4	C5	C6	0.2°	0.3°
OA1	C4	C5	C3	179.6°	179.7°
OA1	C4	C5	C10	179.8°	180.0°
OA1	C4	C3	C2	179.9°	179.8°
OA1	C4	C3	H6	0.1°	0.2°
C7	C6	C5	H8	180.0°	179.9°
C7	C6	C5	C4	179.9°	180.0°
C6	C7	C8	H9	180.0°	180.0°
C7	C6	C5	C10	0.2°	0.3°
C6	C7	C8	C9	0.0°	0.3°
C6	C7	C8	H10	180.0°	180.0°
C6	C5	C4	C10	179.9°	179.7°
C6	C5	C4	C3	179.9°	180.0°
C5	C6	C7	C8	0.1°	0.0°
C6	C5	C10	C9	0.1°	0.2°
C6	C5	C10	C1	179.7°	179.7°
C5	C6	C7	H9	179.9°	180.0°
C5	C4	C3	C2	0.4°	0.0°
C4	C5	C10	C9	180.0°	180.0°
C4	C5	C10	C1	0.4°	0.6°
C5	C4	C3	H6	179.6°	180.0°
C5	C4	OA1	H7	180.0°	90.0°
C4	C5	C6	H8	0.1°	0.0°
C3	C4	C5	C10	0.2°	0.3°
C4	C3	C2	H6	180.0°	180.0°
C4	C3	C2	C1	0.9°	0.1°
C4	C3	C2	H5	179.2°	180.0°
C3	C4	OA1	H7	0.3°	89.7°
C7	C8	C9	H10	180.0°	179.7°
C7	C8	C9	C10	0.1°	0.4°
C8	C7	C6	H8	179.9°	180.0°
C7	C8	C9	H11	179.9°	179.7°
C5	C10	C9	C8	0.1°	0.1°
C5	C10	C9	C1	179.6°	179.5°
C5	C10	C1	C2	0.8°	0.6°
C5	C10	C1	N1	179.4°	179.7°
C10	C5	C6	H8	179.8°	179.7°
C5	C10	C9	H11	179.9°	180.0°
C3	C2	C1	C10	1.0°	0.3°
C3	C2	C1	H5	180.0°	179.9°
C3	C2	C1	N1	179.6°	180.0°
C8	C9	C10	H11	180.0°	179.9°
C8	C9	C10	C1	179.5°	179.4°
C9	C8	C7	H9	180.0°	179.7°
C9	C10	C1	C2	179.6°	179.9°
C9	C10	C1	N1	1.0°	0.3°
C10	C9	C8	H10	179.9°	180.0°
C10	C1	C2	N1	178.6°	179.7°
C10	C1	N1	N2	141.2°	179.7°
C10	C1	C2	H5	179.0°	179.7°
C1	C10	C9	H11	0.5°	0.5°
C2	C1	N1	N2	40.2°	0.1°
C1	C2	C3	H6	179.1°	179.9°
C1	N1	N2	CB1	179.0°	180.0°
N1	C1	C2	H5	0.4°	0.1°
N1	N2	CB1	CB2	31.0°	180.0°
N1	N2	CB1	CB6	147.9°	0.3°
N2	CB1	CB2	CB6	178.9°	179.7°
N2	CB1	CB2	CB3	179.4°	180.0°
N2	CB1	CB6	CB5	179.6°	180.0°
N2	CB1	CB6	H2	0.4°	0.0°
N2	CB1	CB2	H4	0.6°	0.0°
CB1	CB2	CB3	H4	180.0°	180.0°
CB2	CB1	CB6	CB5	0.7°	0.3°
CB1	CB2	CB3	CB4	0.2°	0.0°
CB2	CB1	CB6	H2	179.3°	179.7°
CB1	CB2	CB3	H3	179.8°	180.0°
CB6	CB1	CB2	CB3	0.6°	0.3°
CB1	CB6	CB5	H2	180.0°	180.0°
CB1	CB6	CB5	CB4	0.5°	0.0°
CB1	CB6	CB5	H1	179.5°	180.0°
CB6	CB1	CB2	H4	179.4°	179.7°
CB2	CB3	CB4	H3	180.0°	180.0°
CB2	CB3	CB4	CB5	0.0°	0.3°
CB2	CB3	CB4	SB	179.9°	180.0°
CB6	CB5	CB4	CB3	0.1°	0.3°
CB6	CB5	CB4	H1	180.0°	180.0°
CB6	CB5	CB4	SB	179.8°	180.0°
CB3	CB4	CB5	SB	179.9°	179.7°
CB3	CB4	SB	OB4	33.2°	156.2°
CB3	CB4	SB	OB2	151.6°	23.2°
CB3	CB4	SB	OB3	87.9°	90.3°
CB3	CB4	CB5	H1	179.9°	179.7°
CB4	CB3	CB2	H4	179.8°	180.0°
CB5	CB4	SB	OB4	146.8°	23.5°
CB5	CB4	SB	OB2	28.3°	156.4°
CB5	CB4	SB	OB3	92.2°	90.0°
CB4	CB5	CB6	H2	179.5°	180.0°
CB5	CB4	CB3	H3	180.0°	179.7°
CB4	SB	OB4	OB2	119.2°	123.0°
CB4	SB	OB4	OB3	121.0°	114.1°
CB4	SB	OB2	OB3	120.7°	114.1°
SB	CB4	CB5	H1	0.2°	0.1°
SB	CB4	CB3	H3	0.1°	0.1°
CB4	SB	OB3	H12	120.3°	180.0°
OB4	SB	OB2	OB3	119.9°	122.9°
OB4	SB	OB3	H12	118.8°	66.4°
OB2	SB	OB3	H12	0.0°	66.5°
H1	CB5	CB6	H2	0.5°	0.0°
H3	CB3	CB2	H4	0.2°	0.0°
H5	C2	C3	H6	0.8°	0.0°
H8	C6	C7	H9	0.1°	0.1°
H9	C7	C8	H10	0.1°	0.0°
H10	C8	C9	H11	0.2°	0.0°

Release date:	2014-02-12
Definition date:	2013-03-12
Last modified:	2021-03-01
Release status:	REL
Processing site:	PDBJ
Derived from:	3W79