0DF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | N1 | sing | 1.47Å | 1.47Å | |
| O1 | C3 | doub | 1.22Å | 1.29Å | |
| N1 | C3 | sing | 1.35Å | 1.32Å | |
| N1 | C2 | sing | 1.39Å | 1.34Å | |
| C3 | N2 | sing | 1.35Å | 1.33Å | |
| C2 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.40Å | Aromatic |
| N2 | C1 | sing | 1.39Å | 1.32Å | |
| C6 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | N3 | doub | 1.32Å | 1.35Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C8 | sing | 1.48Å | 1.49Å | |
| C5 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| N3 | C4 | sing | 1.32Å | 1.32Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | N1 | C3 | 125.8° | 125.9° |
| C7 | N1 | C2 | 129.0° | 125.9° |
| N1 | C7 | H1 | 109.5° | 109.5° |
| N1 | C7 | H2 | 109.5° | 109.5° |
| N1 | C7 | H3 | 109.5° | 109.5° |
| O1 | C3 | N1 | 122.9° | 125.1° |
| O1 | C3 | N2 | 122.6° | 125.1° |
| C3 | N1 | C2 | 105.2° | 108.2° |
| N1 | C3 | N2 | 114.5° | 109.7° |
| N1 | C2 | C6 | 132.4° | 133.6° |
| N1 | C2 | C1 | 106.7° | 106.9° |
| C3 | N2 | C1 | 104.1° | 108.6° |
| C3 | N2 | H6 | 128.0° | 125.7° |
| C6 | C2 | C1 | 120.6° | 119.5° |
| C2 | C6 | C5 | 116.0° | 118.2° |
| C2 | C6 | H4 | 122.0° | 120.9° |
| C2 | C1 | N2 | 109.2° | 106.6° |
| C2 | C1 | N3 | 120.9° | 120.5° |
| N2 | C1 | N3 | 129.9° | 132.9° |
| C1 | N2 | H6 | 127.9° | 125.7° |
| C6 | C5 | C8 | 122.9° | 120.4° |
| C6 | C5 | C4 | 120.8° | 119.0° |
| C5 | C6 | H4 | 122.0° | 120.9° |
| C1 | N3 | C4 | 119.0° | 121.7° |
| C12 | C13 | C8 | 119.7° | 119.9° |
| C13 | C12 | C11 | 119.2° | 120.2° |
| C12 | C13 | H7 | 120.2° | 120.1° |
| C13 | C12 | H8 | 120.4° | 119.9° |
| C13 | C8 | C5 | 118.4° | 120.2° |
| C13 | C8 | C9 | 120.8° | 119.7° |
| C8 | C13 | H7 | 120.2° | 120.0° |
| C8 | C5 | C4 | 116.3° | 120.5° |
| C5 | C8 | C9 | 120.7° | 120.1° |
| C5 | C4 | N3 | 122.6° | 121.1° |
| C5 | C4 | H5 | 118.7° | 119.5° |
| N3 | C4 | H5 | 118.7° | 119.4° |
| C12 | C11 | C10 | 121.6° | 120.2° |
| C11 | C12 | H8 | 120.4° | 119.9° |
| C12 | C11 | H9 | 119.2° | 119.9° |
| C8 | C9 | C10 | 119.2° | 119.9° |
| C8 | C9 | H11 | 120.5° | 120.1° |
| C11 | C10 | C9 | 119.6° | 120.1° |
| C10 | C11 | H9 | 119.2° | 119.9° |
| C11 | C10 | H10 | 120.2° | 120.0° |
| C9 | C10 | H10 | 120.2° | 119.9° |
| C10 | C9 | H11 | 120.4° | 120.0° |
| H1 | C7 | H2 | 109.4° | 109.5° |
| H1 | C7 | H3 | 109.5° | 109.5° |
| H2 | C7 | H3 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | N1 | C3 | O1 | 1.6° | 0.1° |
| C7 | N1 | C3 | C2 | 179.9° | 179.9° |
| C7 | N1 | C3 | N2 | 179.7° | 179.7° |
| C7 | N1 | C2 | C6 | 3.7° | 0.1° |
| C7 | N1 | C2 | C1 | 177.4° | 180.0° |
| N1 | C7 | H1 | H2 | 120.0° | 120.0° |
| N1 | C7 | H1 | H3 | 120.0° | 120.0° |
| N1 | C7 | H2 | H3 | 120.0° | 120.0° |
| O1 | C3 | N1 | N2 | 178.8° | 179.8° |
| O1 | C3 | N1 | C2 | 178.4° | 180.0° |
| O1 | C3 | N2 | C1 | 179.1° | 179.8° |
| O1 | C3 | N2 | H6 | 0.9° | 0.1° |
| C3 | N1 | C2 | C6 | 176.3° | 180.0° |
| C3 | N1 | C2 | C1 | 2.6° | 0.1° |
| N1 | C3 | N2 | C1 | 2.1° | 0.4° |
| C3 | N1 | C7 | H1 | 180.0° | 0.1° |
| C3 | N1 | C7 | H2 | 60.0° | 120.0° |
| C3 | N1 | C7 | H3 | 60.0° | 120.1° |
| N1 | C3 | N2 | H6 | 177.9° | 179.7° |
| C2 | N1 | C3 | N2 | 0.4° | 0.2° |
| N1 | C2 | C6 | C1 | 173.0° | 179.9° |
| N1 | C2 | C1 | N2 | 4.1° | 0.3° |
| N1 | C2 | C6 | C5 | 177.9° | 180.0° |
| N1 | C2 | C1 | N3 | 178.0° | 180.0° |
| C2 | N1 | C7 | H1 | 0.1° | 179.9° |
| C2 | N1 | C7 | H2 | 119.9° | 59.9° |
| C2 | N1 | C7 | H3 | 120.1° | 60.0° |
| N1 | C2 | C6 | H4 | 2.1° | 0.0° |
| C3 | N2 | C1 | C2 | 3.7° | 0.4° |
| C3 | N2 | C1 | H6 | 180.0° | 179.9° |
| C3 | N2 | C1 | N3 | 178.7° | 179.9° |
| C6 | C2 | C1 | N2 | 178.7° | 179.7° |
| C2 | C6 | C5 | H4 | 180.0° | 180.0° |
| C6 | C2 | C1 | N3 | 3.4° | 0.1° |
| C2 | C6 | C5 | C8 | 179.4° | 180.0° |
| C2 | C6 | C5 | C4 | 3.2° | 0.0° |
| C2 | C1 | N2 | N3 | 177.7° | 179.6° |
| C1 | C2 | C6 | C5 | 4.9° | 0.0° |
| C2 | C1 | N3 | C4 | 0.0° | 0.1° |
| C1 | C2 | C6 | H4 | 175.1° | 179.9° |
| C2 | C1 | N2 | H6 | 176.3° | 179.7° |
| N2 | C1 | N3 | C4 | 177.4° | 179.6° |
| C6 | C5 | C8 | C13 | 45.1° | 0.3° |
| C6 | C5 | C8 | C4 | 176.3° | 179.9° |
| C6 | C5 | C4 | N3 | 0.0° | 0.0° |
| C6 | C5 | C8 | C9 | 139.9° | 180.0° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C1 | N3 | C4 | C5 | 1.8° | 0.1° |
| C1 | N3 | C4 | H5 | 178.2° | 180.0° |
| N3 | C1 | N2 | H6 | 1.4° | 0.0° |
| C12 | C13 | C8 | H7 | 180.0° | 179.9° |
| C12 | C13 | C8 | C5 | 178.5° | 180.0° |
| C13 | C12 | C11 | H8 | 180.0° | 180.0° |
| C12 | C13 | C8 | C9 | 3.4° | 0.3° |
| C13 | C12 | C11 | C10 | 0.1° | 0.0° |
| C13 | C12 | C11 | H9 | 179.9° | 179.9° |
| C13 | C8 | C5 | C9 | 175.1° | 179.7° |
| C13 | C8 | C5 | C4 | 131.3° | 179.8° |
| C8 | C13 | C12 | C11 | 2.1° | 0.0° |
| C13 | C8 | C9 | C10 | 2.7° | 0.5° |
| C8 | C13 | C12 | H8 | 177.9° | 179.9° |
| C13 | C8 | C9 | H11 | 177.3° | 179.7° |
| C8 | C5 | C4 | N3 | 176.4° | 180.0° |
| C5 | C8 | C9 | C10 | 177.7° | 179.8° |
| C8 | C5 | C6 | H4 | 0.5° | 0.0° |
| C8 | C5 | C4 | H5 | 3.6° | 0.1° |
| C5 | C8 | C13 | H7 | 1.6° | 0.1° |
| C5 | C8 | C9 | H11 | 2.3° | 0.0° |
| C5 | C4 | N3 | H5 | 180.0° | 179.9° |
| C4 | C5 | C8 | C9 | 43.8° | 0.1° |
| C4 | C5 | C6 | H4 | 176.7° | 179.9° |
| C12 | C11 | C10 | H9 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 0.6° | 0.3° |
| C11 | C12 | C13 | H7 | 178.0° | 180.0° |
| C12 | C11 | C10 | H10 | 179.4° | 179.9° |
| C8 | C9 | C10 | C11 | 0.8° | 0.5° |
| C8 | C9 | C10 | H11 | 180.0° | 179.8° |
| C9 | C8 | C13 | H7 | 176.6° | 179.8° |
| C8 | C9 | C10 | H10 | 179.3° | 179.7° |
| C11 | C10 | C9 | H10 | 180.0° | 179.8° |
| C10 | C11 | C12 | H8 | 179.9° | 179.9° |
| C11 | C10 | C9 | H11 | 179.3° | 179.7° |
| C9 | C10 | C11 | H9 | 179.4° | 179.8° |
| H1 | C7 | H2 | H3 | 120.0° | 120.0° |
| H7 | C13 | C12 | H8 | 2.0° | 0.0° |
| H8 | C12 | C11 | H9 | 0.1° | 0.1° |
| H9 | C11 | C10 | H10 | 0.6° | 0.1° |
| H10 | C10 | C9 | H11 | 0.7° | 0.1° |
