HNG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N2 | C2 | sing | 1.37Å | 1.35Å | |
N1 | C2 | doub | 1.32Å | 1.34Å | |
N1 | C6 | sing | 1.34Å | 1.33Å | |
O6 | C6 | doub | 1.22Å | 1.24Å | |
C2 | N3 | sing | 1.36Å | 1.36Å | |
C6 | C5 | sing | 1.46Å | 1.48Å | |
N3 | C4 | sing | 1.37Å | 1.35Å | |
C5 | C4 | doub | 1.39Å | 1.46Å | Aromatic |
C5 | C7 | sing | 1.46Å | 1.48Å | Aromatic |
C4 | N9 | sing | 1.36Å | 1.35Å | Aromatic |
N11 | C10 | sing | 1.47Å | 1.46Å | |
C7 | C10 | sing | 1.51Å | 1.51Å | |
C7 | C8 | doub | 1.34Å | 1.39Å | Aromatic |
N9 | C8 | sing | 1.37Å | 1.36Å | Aromatic |
N3 | H1 | sing | 0.97Å | 1.00Å | |
C10 | H2 | sing | 1.09Å | 1.10Å | |
C10 | H3 | sing | 1.09Å | 1.10Å | |
N11 | H4 | sing | 1.01Å | 1.00Å | |
N11 | H5 | sing | 1.01Å | 1.00Å | |
C8 | H7 | sing | 1.08Å | 1.08Å | |
N9 | H8 | sing | 0.97Å | 1.00Å | |
N2 | H9 | sing | 0.97Å | 1.00Å | |
N2 | H10 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N2 | C2 | N1 | 119.3° | 118.6° |
N2 | C2 | N3 | 118.0° | 118.6° |
C2 | N2 | H9 | 120.0° | 120.0° |
C2 | N2 | H10 | 120.0° | 120.0° |
C2 | N1 | C6 | 122.7° | 121.2° |
N1 | C2 | N3 | 122.7° | 122.7° |
N1 | C6 | O6 | 121.2° | 120.8° |
N1 | C6 | C5 | 117.7° | 118.4° |
O6 | C6 | C5 | 121.1° | 120.8° |
C2 | N3 | C4 | 120.6° | 120.6° |
C2 | N3 | H1 | 119.7° | 119.7° |
C6 | C5 | C4 | 117.4° | 118.6° |
C6 | C5 | C7 | 136.7° | 134.9° |
N3 | C4 | C5 | 118.8° | 118.3° |
N3 | C4 | N9 | 133.9° | 134.1° |
C4 | N3 | H1 | 119.7° | 119.7° |
C4 | C5 | C7 | 105.8° | 106.4° |
C5 | C4 | N9 | 107.3° | 107.6° |
C5 | C7 | C10 | 128.6° | 126.7° |
C5 | C7 | C8 | 104.9° | 106.5° |
C4 | N9 | C8 | 110.9° | 110.1° |
C4 | N9 | H8 | 124.6° | 124.9° |
N11 | C10 | C7 | 112.0° | 109.5° |
N11 | C10 | H2 | 108.8° | 109.5° |
N11 | C10 | H3 | 108.8° | 109.5° |
C10 | N11 | H4 | 109.5° | 111.0° |
C10 | N11 | H5 | 109.5° | 111.0° |
C10 | C7 | C8 | 126.6° | 126.8° |
C7 | C10 | H2 | 108.8° | 109.4° |
C7 | C10 | H3 | 108.8° | 109.5° |
C7 | C8 | N9 | 111.1° | 109.4° |
C7 | C8 | H7 | 124.4° | 125.3° |
N9 | C8 | H7 | 124.5° | 125.3° |
C8 | N9 | H8 | 124.6° | 125.0° |
H2 | C10 | H3 | 109.5° | 109.5° |
H4 | N11 | H5 | 109.5° | 111.0° |
H9 | N2 | H10 | 120.0° | 119.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N2 | C2 | N1 | N3 | 178.8° | 180.0° |
N2 | C2 | N1 | C6 | 179.8° | 179.9° |
N2 | C2 | N3 | C4 | 179.9° | 180.0° |
N2 | C2 | N3 | H1 | 0.1° | 0.0° |
C2 | N2 | H9 | H10 | 180.0° | 179.9° |
C2 | N1 | C6 | O6 | 179.3° | 180.0° |
C2 | N1 | C6 | C5 | 1.2° | 0.1° |
N1 | C2 | N3 | C4 | 1.1° | 0.1° |
N1 | C2 | N3 | H1 | 178.9° | 180.0° |
N1 | C2 | N2 | H9 | 0.0° | 0.0° |
N1 | C2 | N2 | H10 | 180.0° | 179.9° |
N1 | C6 | O6 | C5 | 179.5° | 179.9° |
C6 | N1 | C2 | N3 | 1.3° | 0.1° |
N1 | C6 | C5 | C4 | 0.8° | 0.0° |
N1 | C6 | C5 | C7 | 179.8° | 179.9° |
O6 | C6 | C5 | C4 | 179.7° | 179.9° |
O6 | C6 | C5 | C7 | 0.3° | 0.1° |
C2 | N3 | C4 | H1 | 180.0° | 180.0° |
C2 | N3 | C4 | C5 | 0.7° | 0.0° |
C2 | N3 | C4 | N9 | 179.4° | 180.0° |
N3 | C2 | N2 | H9 | 178.8° | 179.9° |
N3 | C2 | N2 | H10 | 1.2° | 0.1° |
C6 | C5 | C4 | N3 | 0.6° | 0.0° |
C6 | C5 | C4 | C7 | 179.6° | 180.0° |
C6 | C5 | C4 | N9 | 179.6° | 180.0° |
C6 | C5 | C7 | C10 | 0.3° | 0.1° |
C6 | C5 | C7 | C8 | 179.7° | 180.0° |
N3 | C4 | C5 | N9 | 179.0° | 180.0° |
N3 | C4 | C5 | C7 | 179.8° | 180.0° |
N3 | C4 | N9 | C8 | 179.2° | 180.0° |
N3 | C4 | N9 | H8 | 0.7° | 0.0° |
C4 | C5 | C7 | C10 | 179.7° | 180.0° |
C4 | C5 | C7 | C8 | 0.9° | 0.0° |
C5 | C4 | N9 | C8 | 0.5° | 0.0° |
C5 | C4 | N3 | H1 | 179.2° | 180.0° |
C5 | C4 | N9 | H8 | 179.5° | 180.0° |
C7 | C5 | C4 | N9 | 0.8° | 0.0° |
C5 | C7 | C10 | N11 | 30.0° | 80.0° |
C5 | C7 | C10 | C8 | 179.3° | 179.9° |
C5 | C7 | C8 | N9 | 0.6° | 0.0° |
C5 | C7 | C10 | H2 | 90.3° | 160.0° |
C5 | C7 | C10 | H3 | 150.4° | 40.0° |
C5 | C7 | C8 | H7 | 179.4° | 180.0° |
C4 | N9 | C8 | C7 | 0.1° | 0.0° |
C4 | N9 | C8 | H8 | 180.0° | 180.0° |
N9 | C4 | N3 | H1 | 0.6° | 0.0° |
C4 | N9 | C8 | H7 | 179.9° | 180.0° |
N11 | C10 | C7 | H2 | 120.4° | 120.0° |
N11 | C10 | C7 | H3 | 120.4° | 120.0° |
N11 | C10 | C7 | C8 | 149.3° | 99.9° |
N11 | C10 | H2 | H3 | 118.9° | 120.0° |
C10 | N11 | H4 | H5 | 120.0° | 123.9° |
C10 | C7 | C8 | N9 | 180.0° | 179.9° |
C7 | C10 | H2 | H3 | 118.8° | 120.0° |
C7 | C10 | N11 | H4 | 180.0° | 180.0° |
C7 | C10 | N11 | H5 | 60.0° | 56.1° |
C10 | C7 | C8 | H7 | 0.0° | 0.1° |
C7 | C8 | N9 | H7 | 180.0° | 180.0° |
C8 | C7 | C10 | H2 | 90.4° | 20.1° |
C8 | C7 | C10 | H3 | 28.9° | 140.1° |
C7 | C8 | N9 | H8 | 179.9° | 180.0° |
H2 | C10 | N11 | H4 | 59.6° | 60.1° |
H2 | C10 | N11 | H5 | 60.4° | 176.0° |
H3 | C10 | N11 | H4 | 59.7° | 60.0° |
H3 | C10 | N11 | H5 | 179.7° | 63.9° |
H7 | C8 | N9 | H8 | 0.1° | 0.0° |