907

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.40Å	1.41Å	Aromatic
C1	C6	sing	1.39Å	1.43Å	Aromatic
C1	C7	sing	1.48Å	1.44Å
C2	C3	sing	1.36Å	1.39Å	Aromatic
C2	HC2	sing	1.08Å	1.08Å
C3	C4	doub	1.39Å	1.37Å	Aromatic
C3	HC3	sing	1.08Å	1.08Å
C4	C5	sing	1.41Å	1.35Å	Aromatic
C4	N3	sing	1.38Å	1.31Å	Aromatic
C5	C6	doub	1.39Å	1.40Å	Aromatic
C5	CN4	sing	1.46Å	1.37Å	Aromatic
C6	HC6	sing	1.08Å	1.08Å
C7	N1	sing	1.33Å	1.33Å
C7	N2	doub	1.33Å	1.32Å
N1	HH11	sing	0.97Å	1.01Å
N1	HH12	sing	0.97Å	0.99Å
N2	HH21	sing	0.97Å	1.01Å
N2	HH22	sing	0.97Å	0.99Å
N3	C8	sing	1.38Å	1.30Å	Aromatic
N3	HN3	sing	0.97Å	0.99Å
CN4	C8	doub	1.36Å	1.39Å	Aromatic
CN4	HCN4	sing	1.08Å	1.09Å
C8	C1'	sing	1.48Å	1.42Å	Aromatic
C1'	C2'	doub	1.40Å	1.41Å	Aromatic
C1'	C6'	sing	1.40Å	1.40Å	Aromatic
C2'	C3'	sing	1.38Å	1.42Å	Aromatic
C2'	HC2'	sing	1.08Å	1.08Å
C3'	CV'	sing	1.51Å	1.51Å
C3'	C4'	doub	1.38Å	1.36Å	Aromatic
CV'	H32'	sing	1.09Å	1.08Å
CV'	H33'	sing	1.09Å	1.08Å
CV'	H34'	sing	1.09Å	1.08Å
C4'	C5'	sing	1.38Å	1.35Å	Aromatic
C4'	HC4'	sing	1.08Å	1.08Å
C5'	C6'	doub	1.39Å	1.41Å	Aromatic
C5'	BR5'	sing	1.89Å	1.91Å
C6'	O6'	sing	1.36Å	1.39Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	117.8°	120.1°
C2	C1	C7	119.4°	120.0°
C1	C2	C3	121.7°	120.7°
C1	C2	HC2	121.2°	119.7°
C6	C1	C7	122.8°	119.9°
C1	C6	C5	117.9°	119.4°
C1	C6	HC6	121.7°	120.3°
C1	C7	N1	121.5°	120.0°
C1	C7	N2	117.7°	120.1°
C3	C2	HC2	117.0°	119.6°
C2	C3	C4	118.9°	120.3°
C2	C3	HC3	120.8°	119.9°
C4	C3	HC3	120.3°	119.8°
C3	C4	C5	121.3°	119.6°
C3	C4	N3	129.4°	133.1°
C5	C4	N3	109.3°	107.3°
C4	C5	C6	122.3°	120.0°
C4	C5	CN4	106.5°	106.3°
C4	N3	C8	110.6°	109.9°
C4	N3	HN3	127.2°	125.0°
C6	C5	CN4	131.2°	133.7°
C5	C6	HC6	120.3°	120.3°
C5	CN4	C8	106.2°	106.8°
C5	CN4	HCN4	126.6°	126.6°
N1	C7	N2	120.8°	120.0°
C7	N1	HH11	119.2°	120.0°
C7	N1	HH12	125.1°	120.0°
C7	N2	HH21	120.4°	120.0°
C7	N2	HH22	123.8°	120.0°
HH11	N1	HH12	115.6°	120.0°
HH21	N2	HH22	115.8°	120.0°
C8	N3	HN3	122.3°	125.1°
N3	C8	CN4	107.4°	109.6°
N3	C8	C1'	124.3°	125.2°
C8	CN4	HCN4	127.3°	126.6°
CN4	C8	C1'	128.3°	125.2°
C8	C1'	C2'	120.7°	120.1°
C8	C1'	C6'	121.6°	120.2°
C2'	C1'	C6'	117.7°	119.7°
C1'	C2'	C3'	120.6°	119.9°
C1'	C2'	HC2'	119.6°	120.0°
C1'	C6'	C5'	118.9°	119.7°
C1'	C6'	O6'	121.2°	120.2°
C3'	C2'	HC2'	119.8°	120.1°
C2'	C3'	CV'	122.5°	119.9°
C2'	C3'	C4'	121.0°	120.3°
CV'	C3'	C4'	116.5°	119.9°
C3'	CV'	H32'	108.5°	109.4°
C3'	CV'	H33'	109.3°	109.5°
C3'	CV'	H34'	108.6°	109.5°
C3'	C4'	C5'	118.2°	120.3°
C3'	C4'	HC4'	121.8°	119.8°
H32'	CV'	H33'	109.9°	109.4°
H32'	CV'	H34'	110.2°	109.5°
H33'	CV'	H34'	110.3°	109.5°
C5'	C4'	HC4'	120.0°	119.9°
C4'	C5'	C6'	123.6°	120.1°
C4'	C5'	BR5'	114.3°	119.9°
C6'	C5'	BR5'	122.1°	120.0°
C5'	C6'	O6'	119.9°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	C7	179.8°	180.0°
C1	C2	C3	HC2	179.7°	179.9°
C1	C2	C3	C4	0.2°	0.1°
C1	C2	C3	HC3	179.9°	180.0°
C2	C1	C6	C5	0.3°	0.0°
C2	C1	C6	HC6	179.6°	180.0°
C2	C1	C7	N1	179.9°	0.0°
C2	C1	C7	N2	0.0°	180.0°
C6	C1	C2	C3	0.3°	0.1°
C6	C1	C2	HC2	179.9°	180.0°
C1	C6	C5	C4	0.1°	0.0°
C1	C6	C5	HC6	180.0°	180.0°
C1	C6	C5	CN4	179.2°	179.7°
C6	C1	C7	N1	0.1°	180.0°
C6	C1	C7	N2	179.8°	0.0°
C7	C1	C2	C3	179.5°	179.9°
C7	C1	C2	HC2	0.1°	0.0°
C7	C1	C6	C5	179.4°	180.0°
C7	C1	C6	HC6	0.6°	0.0°
C1	C7	N1	N2	179.9°	180.0°
C1	C7	N1	HH11	3.0°	0.0°
C1	C7	N1	HH12	179.0°	180.0°
C1	C7	N2	HH21	0.2°	180.0°
C1	C7	N2	HH22	177.8°	0.0°
C2	C3	C4	HC3	179.8°	179.9°
C2	C3	C4	C5	0.7°	0.1°
C2	C3	C4	N3	179.4°	180.0°
HC2	C2	C3	C4	179.4°	180.0°
HC2	C2	C3	HC3	0.4°	0.1°
C3	C4	C5	N3	179.9°	180.0°
C3	C4	C5	C6	0.7°	0.0°
C3	C4	C5	CN4	179.9°	179.8°
C3	C4	N3	C8	179.7°	179.9°
C3	C4	N3	HN3	0.2°	0.0°
HC3	C3	C4	C5	179.4°	180.0°
HC3	C3	C4	N3	0.5°	0.0°
C4	C5	C6	CN4	179.1°	179.7°
C4	C5	C6	HC6	179.9°	180.0°
C5	C4	N3	C8	0.4°	0.0°
C5	C4	N3	HN3	179.8°	180.0°
C4	C5	CN4	C8	0.2°	0.4°
C4	C5	CN4	HCN4	179.9°	179.7°
N3	C4	C5	C6	179.4°	180.0°
N3	C4	C5	CN4	0.1°	0.2°
C4	N3	C8	HN3	179.5°	179.9°
C4	N3	C8	CN4	0.5°	0.3°
C4	N3	C8	C1'	177.3°	180.0°
C6	C5	CN4	C8	179.0°	179.9°
C6	C5	CN4	HCN4	0.7°	0.0°
CN4	C5	C6	HC6	0.8°	0.3°
C5	CN4	C8	N3	0.4°	0.4°
C5	CN4	C8	HCN4	179.8°	179.9°
C5	CN4	C8	C1'	177.3°	179.9°
C7	N1	HH11	HH12	178.2°	180.0°
N1	C7	N2	HH21	179.8°	0.0°
N1	C7	N2	HH22	2.1°	180.0°
N2	C7	N1	HH11	176.9°	180.0°
N2	C7	N1	HH12	1.1°	0.0°
C7	N2	HH21	HH22	177.9°	180.0°
N3	C8	CN4	C1'	177.7°	179.7°
N3	C8	CN4	HCN4	179.9°	179.7°
N3	C8	C1'	C2'	171.5°	39.7°
N3	C8	C1'	C6'	8.1°	140.1°
HN3	N3	C8	CN4	180.0°	179.8°
HN3	N3	C8	C1'	2.2°	0.1°
CN4	C8	C1'	C2'	5.8°	139.9°
CN4	C8	C1'	C6'	174.6°	40.3°
HCN4	CN4	C8	C1'	2.5°	0.0°
C8	C1'	C2'	C6'	179.7°	179.8°
C8	C1'	C2'	C3'	179.6°	179.7°
C8	C1'	C2'	HC2'	0.5°	0.2°
C8	C1'	C6'	C5'	179.5°	180.0°
C8	C1'	C6'	O6'	0.9°	0.0°
C1'	C2'	C3'	HC2'	179.9°	179.5°
C1'	C2'	C3'	CV'	179.5°	179.8°
C1'	C2'	C3'	C4'	0.0°	0.6°
C2'	C1'	C6'	C5'	0.1°	0.2°
C2'	C1'	C6'	O6'	179.4°	179.7°
C6'	C1'	C2'	C3'	0.0°	0.5°
C6'	C1'	C2'	HC2'	179.9°	180.0°
C1'	C6'	C5'	C4'	0.3°	0.0°
C1'	C6'	C5'	O6'	179.6°	180.0°
C1'	C6'	C5'	BR5'	178.7°	180.0°
C2'	C3'	CV'	C4'	179.5°	179.6°
C2'	C3'	CV'	H32'	130.8°	90.3°
C2'	C3'	CV'	H33'	10.9°	29.6°
C2'	C3'	CV'	H34'	109.4°	149.7°
C2'	C3'	C4'	C5'	0.1°	0.4°
C2'	C3'	C4'	HC4'	179.9°	179.7°
HC2'	C2'	C3'	CV'	0.6°	0.3°
HC2'	C2'	C3'	C4'	179.9°	179.9°
C3'	CV'	H32'	H33'	119.4°	119.9°
C3'	CV'	H32'	H34'	118.8°	120.0°
C3'	CV'	H33'	H34'	119.3°	120.0°
CV'	C3'	C4'	C5'	179.4°	180.0°
CV'	C3'	C4'	HC4'	0.6°	0.1°
C4'	C3'	CV'	H32'	49.7°	90.1°
C4'	C3'	CV'	H33'	169.5°	150.0°
C4'	C3'	CV'	H34'	70.2°	29.9°
C3'	C4'	C5'	HC4'	180.0°	179.9°
C3'	C4'	C5'	C6'	0.2°	0.1°
C3'	C4'	C5'	BR5'	178.8°	180.0°
H32'	CV'	H33'	H34'	121.7°	120.1°
C4'	C5'	C6'	BR5'	178.9°	180.0°
C4'	C5'	C6'	O6'	179.3°	180.0°
HC4'	C4'	C5'	C6'	179.8°	180.0°
HC4'	C4'	C5'	BR5'	1.2°	0.0°
BR5'	C5'	C6'	O6'	1.7°	0.0°

Definition date:	2003-03-14
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB
Derived from:	1O3I