NNU
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N16 | C17 | sing | 1.47Å | 1.47Å | |
C17 | C18 | sing | 1.51Å | 1.51Å | |
C18 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
C18 | C26 | sing | 1.39Å | 1.37Å | Aromatic |
C22 | N23 | sing | 1.32Å | 1.34Å | Aromatic |
N23 | C24 | doub | 1.32Å | 1.34Å | Aromatic |
C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
C25 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
C26 | CL27 | sing | 1.74Å | 1.78Å | |
N16 | HN16 | sing | 1.01Å | 1.00Å | |
N16 | HN1A | sing | 1.01Å | 1.00Å | |
C17 | H17 | sing | 1.09Å | 1.10Å | |
C17 | H17A | sing | 1.09Å | 1.10Å | |
C22 | H22 | sing | 1.08Å | 1.08Å | |
C24 | H24 | sing | 1.08Å | 1.08Å | |
C25 | H25 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N16 | C17 | C18 | 111.7° | 109.5° |
C17 | N16 | HN16 | 109.5° | 111.0° |
C17 | N16 | HN1A | 109.5° | 111.0° |
N16 | C17 | H17 | 108.8° | 109.5° |
N16 | C17 | H17A | 108.8° | 109.5° |
C17 | C18 | C22 | 120.8° | 120.4° |
C17 | C18 | C26 | 121.1° | 120.4° |
C18 | C17 | H17 | 108.7° | 109.5° |
C18 | C17 | H17A | 108.7° | 109.5° |
C22 | C18 | C26 | 118.0° | 119.2° |
C18 | C22 | N23 | 120.4° | 120.8° |
C18 | C22 | H22 | 119.8° | 119.6° |
C18 | C26 | C25 | 121.4° | 118.4° |
C18 | C26 | CL27 | 119.5° | 120.8° |
C22 | N23 | C24 | 121.9° | 121.8° |
N23 | C22 | H22 | 119.8° | 119.6° |
N23 | C24 | C25 | 120.2° | 120.7° |
N23 | C24 | H24 | 119.9° | 119.6° |
C24 | C25 | C26 | 118.0° | 119.2° |
C25 | C24 | H24 | 119.9° | 119.6° |
C24 | C25 | H25 | 121.0° | 120.4° |
C25 | C26 | CL27 | 119.1° | 120.8° |
C26 | C25 | H25 | 121.0° | 120.4° |
HN16 | N16 | HN1A | 109.4° | 111.1° |
H17 | C17 | H17A | 110.2° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N16 | C17 | C18 | H17 | 120.0° | 120.0° |
N16 | C17 | C18 | H17A | 120.0° | 120.0° |
N16 | C17 | C18 | C22 | 91.6° | 100.0° |
N16 | C17 | C18 | C26 | 88.8° | 79.7° |
C17 | N16 | HN16 | HN1A | 120.0° | 124.0° |
N16 | C17 | H17 | H17A | 119.1° | 120.0° |
C17 | C18 | C22 | C26 | 179.6° | 179.8° |
C17 | C18 | C22 | N23 | 180.0° | 180.0° |
C17 | C18 | C26 | C25 | 179.8° | 179.7° |
C17 | C18 | C26 | CL27 | 0.9° | 0.0° |
C18 | C17 | N16 | HN16 | 180.0° | 56.0° |
C18 | C17 | N16 | HN1A | 60.0° | 180.0° |
C18 | C17 | H17 | H17A | 119.1° | 120.0° |
C17 | C18 | C22 | H22 | 0.1° | 0.0° |
C18 | C22 | N23 | H22 | 180.0° | 179.9° |
C18 | C22 | N23 | C24 | 0.1° | 0.0° |
C22 | C18 | C26 | C25 | 0.6° | 0.5° |
C22 | C18 | C26 | CL27 | 179.5° | 179.7° |
C22 | C18 | C17 | H17 | 148.4° | 140.0° |
C22 | C18 | C17 | H17A | 28.4° | 20.0° |
C26 | C18 | C22 | N23 | 0.3° | 0.3° |
C18 | C26 | C25 | C24 | 0.4° | 0.5° |
C18 | C26 | C25 | CL27 | 178.9° | 179.8° |
C26 | C18 | C17 | H17 | 31.2° | 40.3° |
C26 | C18 | C17 | H17A | 151.2° | 160.2° |
C26 | C18 | C22 | H22 | 179.7° | 179.8° |
C18 | C26 | C25 | H25 | 179.6° | 179.7° |
C22 | N23 | C24 | C25 | 0.3° | 0.1° |
C22 | N23 | C24 | H24 | 179.7° | 179.9° |
N23 | C24 | C25 | H24 | 180.0° | 180.0° |
N23 | C24 | C25 | C26 | 0.1° | 0.3° |
C24 | N23 | C22 | H22 | 179.9° | 180.0° |
N23 | C24 | C25 | H25 | 179.9° | 179.9° |
C24 | C25 | C26 | H25 | 180.0° | 179.8° |
C24 | C25 | C26 | CL27 | 179.3° | 179.7° |
C26 | C25 | C24 | H24 | 179.9° | 179.7° |
CL27 | C26 | C25 | H25 | 0.7° | 0.0° |
HN16 | N16 | C17 | H17 | 60.0° | 176.0° |
HN16 | N16 | C17 | H17A | 60.0° | 64.0° |
HN1A | N16 | C17 | H17 | 60.0° | 59.9° |
HN1A | N16 | C17 | H17A | 180.0° | 60.0° |
H24 | C24 | C25 | H25 | 0.1° | 0.1° |