HOW
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O5 | N6 | sing | 1.21Å | 1.42Å | Aromatic |
O5 | C4 | sing | 1.34Å | 1.34Å | Aromatic |
N6 | C2 | doub | 1.31Å | 1.35Å | Aromatic |
C4 | C3 | doub | 1.35Å | 1.33Å | Aromatic |
C2 | C3 | sing | 1.42Å | 1.39Å | Aromatic |
C2 | N1 | sing | 1.39Å | 1.38Å | |
C3 | H9 | sing | 1.08Å | 1.08Å | |
N1 | H8 | sing | 0.97Å | 1.00Å | |
N1 | H7 | sing | 0.97Å | 1.00Å | |
C4 | H10 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N6 | O5 | C4 | 107.8° | 111.8° |
O5 | N6 | C2 | 105.0° | 111.4° |
O5 | C4 | C3 | 110.4° | 106.6° |
O5 | C4 | H10 | 124.8° | 126.7° |
N6 | C2 | C3 | 109.8° | 106.2° |
N6 | C2 | N1 | 121.9° | 126.9° |
C4 | C3 | C2 | 107.0° | 103.9° |
C4 | C3 | H9 | 126.5° | 128.0° |
C3 | C4 | H10 | 124.8° | 126.7° |
C3 | C2 | N1 | 128.2° | 126.8° |
C2 | C3 | H9 | 126.5° | 128.1° |
C2 | N1 | H8 | 109.5° | 120.0° |
C2 | N1 | H7 | 109.5° | 120.0° |
H8 | N1 | H7 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N6 | O5 | C4 | C3 | 0.0° | 0.3° |
O5 | N6 | C2 | C3 | 0.0° | 0.5° |
O5 | N6 | C2 | N1 | 180.0° | 179.8° |
N6 | O5 | C4 | H10 | 180.0° | 179.7° |
C4 | O5 | N6 | C2 | 0.0° | 0.5° |
O5 | C4 | C3 | H10 | 180.0° | 180.0° |
O5 | C4 | C3 | C2 | 0.0° | 0.0° |
O5 | C4 | C3 | H9 | 180.0° | 180.0° |
N6 | C2 | C3 | C4 | 0.0° | 0.3° |
N6 | C2 | C3 | N1 | 180.0° | 179.7° |
N6 | C2 | C3 | H9 | 180.0° | 179.7° |
N6 | C2 | N1 | H8 | 0.0° | 179.6° |
N6 | C2 | N1 | H7 | 120.0° | 0.3° |
C4 | C3 | C2 | H9 | 180.0° | 180.0° |
C4 | C3 | C2 | N1 | 180.0° | 180.0° |
C3 | C2 | N1 | H8 | 179.9° | 0.0° |
C3 | C2 | N1 | H7 | 60.0° | 180.0° |
C2 | C3 | C4 | H10 | 180.0° | 180.0° |
N1 | C2 | C3 | H9 | 0.0° | 0.0° |
C2 | N1 | H8 | H7 | 120.0° | 179.9° |
H9 | C3 | C4 | H10 | 0.0° | 0.0° |