RHU
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C01 | N02 | doub | 1.31Å | 1.32Å | Aromatic |
C01 | N05 | sing | 1.37Å | 1.41Å | Aromatic |
C01 | S06 | sing | 1.76Å | 1.71Å | |
N02 | N03 | sing | 1.29Å | 1.29Å | Aromatic |
N03 | C04 | doub | 1.30Å | 1.37Å | Aromatic |
C04 | N05 | sing | 1.37Å | 1.39Å | Aromatic |
C04 | C08 | sing | 1.51Å | 1.53Å | |
N05 | C07 | sing | 1.47Å | 1.45Å | |
S06 | HS06 | sing | 1.41Å | 1.30Å | |
C07 | H07 | sing | 1.09Å | 1.10Å | |
C07 | H07A | sing | 1.09Å | 1.10Å | |
C07 | H07B | sing | 1.09Å | 1.10Å | |
C08 | F09 | sing | 1.40Å | 1.31Å | |
C08 | F10 | sing | 1.40Å | 1.31Å | |
C08 | F11 | sing | 1.40Å | 1.35Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N02 | C01 | N05 | 108.6° | 107.0° |
N02 | C01 | S06 | 130.9° | 126.5° |
C01 | N02 | N03 | 111.1° | 109.9° |
N05 | C01 | S06 | 120.4° | 126.5° |
C01 | N05 | C04 | 103.6° | 105.7° |
C01 | N05 | C07 | 129.4° | 127.1° |
C01 | S06 | HS06 | 102.0° | 100.0° |
N02 | N03 | C04 | 108.4° | 110.1° |
N03 | C04 | N05 | 108.2° | 107.3° |
N03 | C04 | C08 | 127.7° | 126.4° |
N05 | C04 | C08 | 124.1° | 126.3° |
C04 | N05 | C07 | 127.0° | 127.2° |
C04 | C08 | F09 | 109.0° | 109.4° |
C04 | C08 | F10 | 114.3° | 109.5° |
C04 | C08 | F11 | 111.6° | 109.4° |
N05 | C07 | H07 | 109.5° | 109.5° |
N05 | C07 | H07A | 109.5° | 109.4° |
N05 | C07 | H07B | 109.4° | 109.5° |
H07 | C07 | H07A | 109.5° | 109.5° |
H07 | C07 | H07B | 109.5° | 109.5° |
H07A | C07 | H07B | 109.4° | 109.5° |
F09 | C08 | F10 | 107.0° | 109.5° |
F09 | C08 | F11 | 106.6° | 109.5° |
F10 | C08 | F11 | 107.9° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N02 | C01 | N05 | S06 | 178.2° | 179.7° |
C01 | N02 | N03 | C04 | 1.3° | 0.1° |
N02 | C01 | N05 | C04 | 1.0° | 0.0° |
N02 | C01 | N05 | C07 | 178.9° | 180.0° |
N02 | C01 | S06 | HS06 | 0.0° | 90.0° |
N05 | C01 | N02 | N03 | 1.5° | 0.1° |
C01 | N05 | C04 | N03 | 0.3° | 0.0° |
C01 | N05 | C04 | C07 | 179.9° | 180.0° |
C01 | N05 | C04 | C08 | 179.1° | 180.0° |
N05 | C01 | S06 | HS06 | 177.7° | 90.3° |
C01 | N05 | C07 | H07 | 180.0° | 90.0° |
C01 | N05 | C07 | H07A | 60.0° | 150.0° |
C01 | N05 | C07 | H07B | 60.0° | 30.0° |
S06 | C01 | N02 | N03 | 179.4° | 179.8° |
S06 | C01 | N05 | C04 | 179.2° | 179.7° |
S06 | C01 | N05 | C07 | 0.7° | 0.3° |
N02 | N03 | C04 | N05 | 0.6° | 0.1° |
N02 | N03 | C04 | C08 | 179.9° | 180.0° |
N03 | C04 | N05 | C08 | 179.4° | 180.0° |
N03 | C04 | N05 | C07 | 179.6° | 180.0° |
N03 | C04 | C08 | F09 | 116.7° | 15.0° |
N03 | C04 | C08 | F10 | 3.0° | 135.1° |
N03 | C04 | C08 | F11 | 125.8° | 104.9° |
C04 | N05 | C07 | H07 | 0.1° | 90.0° |
C04 | N05 | C07 | H07A | 119.9° | 30.0° |
C04 | N05 | C07 | H07B | 120.1° | 150.0° |
N05 | C04 | C08 | F09 | 62.5° | 165.0° |
N05 | C04 | C08 | F10 | 177.8° | 45.0° |
N05 | C04 | C08 | F11 | 55.0° | 75.0° |
C08 | C04 | N05 | C07 | 1.0° | 0.0° |
C04 | C08 | F09 | F10 | 124.1° | 120.0° |
C04 | C08 | F09 | F11 | 120.6° | 119.9° |
C04 | C08 | F10 | F11 | 124.8° | 120.0° |
N05 | C07 | H07 | H07A | 120.0° | 120.0° |
N05 | C07 | H07 | H07B | 120.0° | 120.0° |
N05 | C07 | H07A | H07B | 120.0° | 120.0° |
H07 | C07 | H07A | H07B | 120.0° | 120.0° |
F09 | C08 | F10 | F11 | 114.4° | 120.0° |