1QP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C8 | doub | 1.31Å | 1.36Å | Aromatic |
| N2 | N1 | sing | 1.40Å | 1.38Å | Aromatic |
| C8 | C2 | sing | 1.41Å | 1.40Å | Aromatic |
| C7 | N1 | sing | 1.36Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.35Å | 1.38Å | Aromatic |
| N1 | C3 | sing | 1.37Å | 1.31Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.41Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.46Å | 1.51Å | |
| C3 | C4 | sing | 1.40Å | 1.42Å | Aromatic |
| O1 | C1 | doub | 1.22Å | 1.21Å | |
| C5 | C4 | doub | 1.36Å | 1.38Å | Aromatic |
| C1 | O2 | sing | 1.35Å | 1.41Å | |
| O2 | C9 | sing | 1.45Å | 1.41Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | H1 | sing | 1.09Å | 1.10Å | |
| C9 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C5 | H9 | sing | 1.08Å | 1.08Å | |
| C4 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | N2 | N1 | 107.8° | 109.6° |
| N2 | C8 | C2 | 106.8° | 108.8° |
| N2 | C8 | H6 | 126.6° | 125.6° |
| N2 | N1 | C7 | 127.6° | 132.0° |
| N2 | N1 | C3 | 110.5° | 107.9° |
| C8 | C2 | C3 | 107.6° | 106.8° |
| C8 | C2 | C1 | 126.3° | 126.6° |
| C2 | C8 | H6 | 126.6° | 125.6° |
| N1 | C7 | C6 | 119.5° | 120.7° |
| C7 | N1 | C3 | 121.9° | 120.1° |
| N1 | C7 | H7 | 120.2° | 119.7° |
| C7 | C6 | C5 | 119.7° | 120.3° |
| C6 | C7 | H7 | 120.2° | 119.6° |
| C7 | C6 | H8 | 120.2° | 119.9° |
| N1 | C3 | C2 | 107.3° | 106.9° |
| N1 | C3 | C4 | 119.7° | 120.3° |
| C6 | C5 | C4 | 119.7° | 119.4° |
| C5 | C6 | H8 | 120.1° | 119.8° |
| C6 | C5 | H9 | 120.2° | 120.2° |
| C3 | C2 | C1 | 126.1° | 126.6° |
| C2 | C3 | C4 | 133.0° | 132.8° |
| C2 | C1 | O1 | 119.4° | 120.0° |
| C2 | C1 | O2 | 118.8° | 120.0° |
| C3 | C4 | C5 | 119.5° | 119.3° |
| C3 | C4 | H10 | 120.3° | 120.4° |
| O1 | C1 | O2 | 121.8° | 120.0° |
| C4 | C5 | H9 | 120.1° | 120.4° |
| C5 | C4 | H10 | 120.2° | 120.3° |
| C1 | O2 | C9 | 115.8° | 117.0° |
| O2 | C9 | C10 | 108.3° | 109.5° |
| O2 | C9 | H1 | 109.8° | 109.5° |
| O2 | C9 | H2 | 109.7° | 109.5° |
| C10 | C9 | H1 | 109.7° | 109.5° |
| C10 | C9 | H2 | 109.8° | 109.4° |
| C9 | C10 | H3 | 109.5° | 109.5° |
| C9 | C10 | H4 | 109.5° | 109.5° |
| C9 | C10 | H5 | 109.5° | 109.4° |
| H1 | C9 | H2 | 109.5° | 109.5° |
| H3 | C10 | H4 | 109.5° | 109.5° |
| H3 | C10 | H5 | 109.5° | 109.5° |
| H4 | C10 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C8 | C2 | H6 | 180.0° | 179.9° |
| C8 | N2 | N1 | C7 | 179.9° | 179.9° |
| C8 | N2 | N1 | C3 | 0.1° | 0.1° |
| N2 | C8 | C2 | C3 | 0.1° | 0.1° |
| N2 | C8 | C2 | C1 | 179.9° | 179.7° |
| N1 | N2 | C8 | C2 | 0.2° | 0.1° |
| N2 | N1 | C7 | C3 | 179.7° | 180.0° |
| N2 | N1 | C7 | C6 | 179.9° | 180.0° |
| N2 | N1 | C3 | C2 | 0.1° | 0.0° |
| N2 | N1 | C3 | C4 | 179.9° | 179.7° |
| N1 | N2 | C8 | H6 | 179.9° | 180.0° |
| N2 | N1 | C7 | H7 | 0.1° | 0.0° |
| C8 | C2 | C3 | N1 | 0.0° | 0.0° |
| C8 | C2 | C3 | C1 | 179.8° | 179.7° |
| C8 | C2 | C3 | C4 | 180.0° | 179.7° |
| C8 | C2 | C1 | O1 | 3.1° | 179.7° |
| C8 | C2 | C1 | O2 | 177.0° | 0.1° |
| N1 | C7 | C6 | H7 | 180.0° | 180.0° |
| N1 | C7 | C6 | C5 | 0.1° | 0.0° |
| C7 | N1 | C3 | C2 | 179.8° | 180.0° |
| C7 | N1 | C3 | C4 | 0.1° | 0.3° |
| N1 | C7 | C6 | H8 | 179.9° | 180.0° |
| C6 | C7 | N1 | C3 | 0.2° | 0.0° |
| C7 | C6 | C5 | H8 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.1° | 0.3° |
| C7 | C6 | C5 | H9 | 179.9° | 179.9° |
| N1 | C3 | C2 | C4 | 179.9° | 179.7° |
| N1 | C3 | C2 | C1 | 179.8° | 179.7° |
| N1 | C3 | C4 | C5 | 0.0° | 0.6° |
| C3 | N1 | C7 | H7 | 179.8° | 180.0° |
| N1 | C3 | C4 | H10 | 180.0° | 179.7° |
| C6 | C5 | C4 | C3 | 0.1° | 0.6° |
| C6 | C5 | C4 | H9 | 180.0° | 179.8° |
| C5 | C6 | C7 | H7 | 179.9° | 180.0° |
| C6 | C5 | C4 | H10 | 179.8° | 179.8° |
| C3 | C2 | C1 | O1 | 176.6° | 0.0° |
| C2 | C3 | C4 | C5 | 180.0° | 179.8° |
| C3 | C2 | C1 | O2 | 3.2° | 179.7° |
| C3 | C2 | C8 | H6 | 179.9° | 180.0° |
| C2 | C3 | C4 | H10 | 0.0° | 0.1° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C2 | C1 | O1 | O2 | 179.8° | 179.8° |
| C2 | C1 | O2 | C9 | 157.8° | 179.7° |
| C1 | C2 | C8 | H6 | 0.1° | 0.2° |
| C3 | C4 | C5 | H10 | 180.0° | 179.7° |
| C3 | C4 | C5 | H9 | 179.8° | 179.6° |
| O1 | C1 | O2 | C9 | 22.0° | 0.1° |
| C4 | C5 | C6 | H8 | 179.9° | 179.7° |
| C1 | O2 | C9 | C10 | 173.7° | 180.0° |
| C1 | O2 | C9 | H1 | 66.5° | 60.0° |
| C1 | O2 | C9 | H2 | 53.8° | 60.0° |
| O2 | C9 | C10 | H1 | 119.8° | 120.0° |
| O2 | C9 | C10 | H2 | 119.8° | 120.0° |
| O2 | C9 | H1 | H2 | 120.5° | 120.0° |
| O2 | C9 | C10 | H3 | 180.0° | 180.0° |
| O2 | C9 | C10 | H4 | 60.0° | 60.0° |
| O2 | C9 | C10 | H5 | 60.0° | 60.0° |
| C10 | C9 | H1 | H2 | 120.5° | 119.9° |
| C9 | C10 | H3 | H4 | 120.0° | 120.0° |
| C9 | C10 | H3 | H5 | 120.0° | 120.0° |
| C9 | C10 | H4 | H5 | 120.0° | 119.9° |
| H1 | C9 | C10 | H3 | 60.2° | 60.0° |
| H1 | C9 | C10 | H4 | 179.8° | NaN° |
| H1 | C9 | C10 | H5 | 59.8° | 60.0° |
| H2 | C9 | C10 | H3 | 60.2° | 60.0° |
| H2 | C9 | C10 | H4 | 59.8° | 60.0° |
| H2 | C9 | C10 | H5 | 179.8° | NaN° |
| H3 | C10 | H4 | H5 | 120.0° | 120.0° |
| H7 | C7 | C6 | H8 | 0.1° | 0.0° |
| H8 | C6 | C5 | H9 | 0.1° | 0.1° |
| H9 | C5 | C4 | H10 | 0.2° | 0.0° |
