246
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL5 | C5 | sing | 1.74Å | 1.73Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | N6 | sing | 1.32Å | 1.34Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| N6 | C7 | doub | 1.32Å | 1.32Å | Aromatic |
| O1 | C1 | doub | 1.22Å | 1.22Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | N3 | sing | 1.40Å | 1.36Å | |
| C3 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | N3 | sing | 1.35Å | 1.31Å | |
| C1 | N2 | sing | 1.35Å | 1.33Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C9 | N2 | sing | 1.46Å | 1.47Å | |
| C10 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL5 | C5 | C4 | 120.3° | 119.6° |
| CL5 | C5 | N6 | 119.5° | 119.6° |
| C4 | C5 | N6 | 120.2° | 120.8° |
| C5 | C4 | C3 | 119.4° | 119.1° |
| C5 | C4 | H4 | 120.3° | 120.4° |
| C5 | N6 | C7 | 121.8° | 121.9° |
| C4 | C3 | N3 | 122.0° | 120.9° |
| C4 | C3 | C8 | 118.6° | 118.3° |
| C3 | C4 | H4 | 120.3° | 120.5° |
| N6 | C7 | C8 | 120.6° | 120.8° |
| N6 | C7 | H7 | 119.7° | 119.6° |
| O1 | C1 | N3 | 123.1° | 120.0° |
| O1 | C1 | N2 | 120.8° | 120.0° |
| C12 | C11 | C10 | 120.1° | 120.0° |
| C11 | C12 | C13 | 119.9° | 120.0° |
| C12 | C11 | H11 | 119.9° | 120.0° |
| C11 | C12 | H12 | 120.1° | 120.0° |
| C11 | C10 | C9 | 119.7° | 120.0° |
| C11 | C10 | C15 | 120.0° | 120.0° |
| C10 | C11 | H11 | 119.9° | 120.0° |
| C12 | C13 | C14 | 120.0° | 120.0° |
| C13 | C12 | H12 | 120.0° | 120.0° |
| C12 | C13 | H13 | 120.0° | 120.0° |
| N3 | C3 | C8 | 119.4° | 120.9° |
| C3 | N3 | C1 | 121.3° | 120.0° |
| C3 | N3 | HN3 | 119.4° | 120.0° |
| C3 | C8 | C7 | 119.4° | 119.1° |
| C3 | C8 | H8 | 120.3° | 120.5° |
| C8 | C7 | H7 | 119.7° | 119.6° |
| C7 | C8 | H8 | 120.3° | 120.4° |
| N3 | C1 | N2 | 116.1° | 120.0° |
| C1 | N3 | HN3 | 119.3° | 120.0° |
| C1 | N2 | C9 | 120.4° | 120.0° |
| C1 | N2 | HN2 | 119.8° | 120.0° |
| C10 | C9 | N2 | 110.7° | 109.5° |
| C9 | C10 | C15 | 120.3° | 120.0° |
| C10 | C9 | H91 | 109.1° | 109.5° |
| C10 | C9 | H92 | 108.8° | 109.5° |
| C9 | N2 | HN2 | 119.8° | 120.0° |
| N2 | C9 | H91 | 109.1° | 109.5° |
| N2 | C9 | H92 | 108.8° | 109.5° |
| C10 | C15 | C14 | 119.9° | 120.0° |
| C10 | C15 | H15 | 120.0° | 120.0° |
| C13 | C14 | C15 | 120.1° | 120.0° |
| C14 | C13 | H13 | 120.0° | 120.0° |
| C13 | C14 | H14 | 120.0° | 120.0° |
| C15 | C14 | H14 | 119.9° | 120.0° |
| C14 | C15 | H15 | 120.1° | 120.0° |
| H91 | C9 | H92 | 110.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL5 | C5 | C4 | N6 | 179.7° | 180.0° |
| CL5 | C5 | C4 | C3 | 179.9° | 180.0° |
| CL5 | C5 | N6 | C7 | 179.1° | 180.0° |
| CL5 | C5 | C4 | H4 | 0.1° | 0.0° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C4 | C5 | N6 | C7 | 0.6° | 0.0° |
| C5 | C4 | C3 | N3 | 175.7° | 180.0° |
| C5 | C4 | C3 | C8 | 1.2° | 0.2° |
| N6 | C5 | C4 | C3 | 0.4° | 0.0° |
| C5 | N6 | C7 | C8 | 0.7° | 0.3° |
| N6 | C5 | C4 | H4 | 179.6° | 180.0° |
| C5 | N6 | C7 | H7 | 179.3° | 180.0° |
| C4 | C3 | N3 | C8 | 176.8° | 179.7° |
| C4 | C3 | C8 | C7 | 1.1° | 0.5° |
| C4 | C3 | N3 | C1 | 6.2° | 144.8° |
| C4 | C3 | N3 | HN3 | 173.8° | 35.2° |
| C4 | C3 | C8 | H8 | 178.9° | 179.8° |
| N6 | C7 | C8 | C3 | 0.2° | 0.5° |
| N6 | C7 | C8 | H7 | 180.0° | 179.8° |
| N6 | C7 | C8 | H8 | 179.8° | 179.7° |
| O1 | C1 | N3 | C3 | 3.7° | 4.4° |
| O1 | C1 | N3 | N2 | 179.5° | 179.8° |
| O1 | C1 | N2 | C9 | 1.4° | 0.2° |
| O1 | C1 | N2 | HN2 | 178.6° | 179.7° |
| O1 | C1 | N3 | HN3 | 176.3° | 175.6° |
| C12 | C11 | C10 | H11 | 180.0° | 179.9° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 178.9° | 180.0° |
| C12 | C11 | C10 | C15 | 0.1° | 0.3° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.0° |
| C11 | C10 | C9 | C15 | 179.0° | 179.7° |
| C11 | C10 | C9 | N2 | 149.0° | 89.7° |
| C11 | C10 | C15 | C14 | 0.1° | 0.5° |
| C11 | C10 | C9 | H91 | 91.0° | 150.3° |
| C11 | C10 | C9 | H92 | 29.5° | 30.3° |
| C10 | C11 | C12 | H12 | 180.0° | 179.9° |
| C11 | C10 | C15 | H15 | 179.9° | 179.7° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.1° | 0.2° |
| C13 | C12 | C11 | H11 | 180.0° | 179.9° |
| C12 | C13 | C14 | H14 | 179.9° | 179.9° |
| N3 | C3 | C8 | C7 | 175.8° | 179.8° |
| C3 | N3 | C1 | HN3 | 180.0° | 180.0° |
| C3 | N3 | C1 | N2 | 175.8° | 175.3° |
| N3 | C3 | C4 | H4 | 4.3° | 0.0° |
| N3 | C3 | C8 | H8 | 4.2° | 0.0° |
| C3 | C8 | C7 | H8 | 180.0° | 179.8° |
| C8 | C3 | N3 | C1 | 170.6° | 34.9° |
| C8 | C3 | N3 | HN3 | 9.4° | 145.1° |
| C8 | C3 | C4 | H4 | 178.8° | 179.8° |
| C3 | C8 | C7 | H7 | 179.8° | 179.7° |
| N3 | C1 | N2 | C9 | 179.1° | 180.0° |
| N3 | C1 | N2 | HN2 | 0.9° | 0.0° |
| C1 | N2 | C9 | C10 | 151.3° | 180.0° |
| C1 | N2 | C9 | HN2 | 180.0° | 180.0° |
| N2 | C1 | N3 | HN3 | 4.2° | 4.6° |
| C1 | N2 | C9 | H91 | 88.7° | 60.0° |
| C1 | N2 | C9 | H92 | 31.8° | 59.9° |
| C10 | C9 | N2 | H91 | 120.0° | 120.0° |
| C10 | C9 | N2 | H92 | 119.5° | 120.0° |
| C9 | C10 | C15 | C14 | 178.9° | 179.8° |
| C10 | C9 | N2 | HN2 | 28.8° | 0.0° |
| C10 | C9 | H91 | H92 | 119.5° | 120.0° |
| C9 | C10 | C11 | H11 | 1.1° | 0.1° |
| C9 | C10 | C15 | H15 | 1.1° | 0.0° |
| N2 | C9 | C10 | C15 | 32.0° | 90.0° |
| N2 | C9 | H91 | H92 | 119.5° | 120.0° |
| C10 | C15 | C14 | C13 | 0.0° | 0.4° |
| C10 | C15 | C14 | H15 | 180.0° | 179.8° |
| C15 | C10 | C9 | H91 | 88.0° | 30.0° |
| C15 | C10 | C9 | H92 | 151.5° | 150.0° |
| C15 | C10 | C11 | H11 | 179.9° | 179.8° |
| C10 | C15 | C14 | H14 | 180.0° | 179.8° |
| C13 | C14 | C15 | H14 | 180.0° | 179.8° |
| C14 | C13 | C12 | H12 | 179.9° | 180.0° |
| C13 | C14 | C15 | H15 | 180.0° | 179.7° |
| C15 | C14 | C13 | H13 | 179.9° | 179.8° |
| HN2 | N2 | C9 | H91 | 91.3° | 120.0° |
| HN2 | N2 | C9 | H92 | 148.3° | 120.0° |
| H7 | C7 | C8 | H8 | 0.2° | 0.0° |
| H11 | C11 | C12 | H12 | 0.0° | 0.0° |
| H12 | C12 | C13 | H13 | 0.1° | 0.1° |
| H13 | C13 | C14 | H14 | 0.1° | 0.0° |
| H14 | C14 | C15 | H15 | 0.0° | 0.0° |
