6T6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | N3 | sing | 1.47Å | 1.48Å | |
| C2 | N6 | sing | 1.47Å | 1.46Å | |
| C2 | C14 | sing | 1.51Å | 1.53Å | |
| N3 | C4 | sing | 1.42Å | 1.31Å | |
| C4 | C5 | doub | 1.34Å | 1.48Å | |
| C4 | C8 | sing | 1.47Å | 1.49Å | |
| C5 | N6 | sing | 1.39Å | 1.30Å | |
| C5 | N7 | sing | 1.39Å | 1.37Å | |
| C8 | C9 | sing | 1.40Å | 1.41Å | Aromatic |
| C8 | C13 | doub | 1.40Å | 1.41Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | C20 | sing | 1.48Å | 1.49Å | |
| C20 | C21 | sing | 1.40Å | 1.41Å | Aromatic |
| C20 | C25 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | N24 | doub | 1.32Å | 1.32Å | Aromatic |
| N24 | C25 | sing | 1.32Å | 1.33Å | Aromatic |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| N6 | H6 | sing | 0.97Å | 1.00Å | |
| N7 | H71N | sing | 0.97Å | 1.00Å | |
| N7 | H72N | sing | 0.97Å | 1.00Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | N3 | 108.9° | 110.3° |
| C1 | C2 | N6 | 105.4° | 110.3° |
| C1 | C2 | C14 | 112.7° | 110.3° |
| C2 | C1 | H11C | 109.5° | 109.5° |
| C2 | C1 | H12C | 109.5° | 109.5° |
| C2 | C1 | H13C | 109.4° | 109.5° |
| N3 | C2 | N6 | 105.1° | 105.0° |
| N3 | C2 | C14 | 113.7° | 110.3° |
| C2 | N3 | C4 | 107.7° | 106.4° |
| C2 | N3 | H3 | 109.9° | 126.9° |
| N6 | C2 | C14 | 110.4° | 110.5° |
| C2 | N6 | C5 | 108.5° | 107.3° |
| C2 | N6 | H6 | 109.7° | 126.3° |
| C2 | C14 | C15 | 121.7° | 119.9° |
| C2 | C14 | C19 | 120.2° | 119.9° |
| N3 | C4 | C5 | 109.2° | 110.3° |
| N3 | C4 | C8 | 128.5° | 124.9° |
| C4 | N3 | H3 | 109.9° | 126.7° |
| C5 | C4 | C8 | 122.3° | 124.9° |
| C4 | C5 | N6 | 109.3° | 111.0° |
| C4 | C5 | N7 | 124.9° | 124.5° |
| C4 | C8 | C9 | 119.1° | 120.2° |
| C4 | C8 | C13 | 121.1° | 120.1° |
| N6 | C5 | N7 | 125.8° | 124.5° |
| C5 | N6 | H6 | 109.7° | 126.3° |
| C5 | N7 | H71N | 109.5° | 120.0° |
| C5 | N7 | H72N | 109.5° | 120.0° |
| C9 | C8 | C13 | 119.8° | 119.7° |
| C8 | C9 | C10 | 120.0° | 119.9° |
| C8 | C9 | H9 | 120.0° | 120.1° |
| C8 | C13 | C12 | 119.7° | 119.8° |
| C8 | C13 | H13 | 120.1° | 120.1° |
| C9 | C10 | C11 | 119.8° | 120.1° |
| C10 | C9 | H9 | 120.0° | 120.1° |
| C9 | C10 | H10 | 120.1° | 120.0° |
| C10 | C11 | C12 | 120.5° | 120.4° |
| C11 | C10 | H10 | 120.1° | 119.9° |
| C10 | C11 | H11 | 119.7° | 119.8° |
| C11 | C12 | C13 | 120.1° | 120.1° |
| C12 | C11 | H11 | 119.8° | 119.8° |
| C11 | C12 | H12 | 119.9° | 119.9° |
| C12 | C13 | H13 | 120.1° | 120.1° |
| C13 | C12 | H12 | 119.9° | 120.0° |
| C15 | C14 | C19 | 118.1° | 120.2° |
| C14 | C15 | C16 | 121.5° | 120.2° |
| C14 | C15 | H15 | 119.3° | 119.9° |
| C14 | C19 | C18 | 121.3° | 119.9° |
| C14 | C19 | H19 | 119.4° | 120.1° |
| C15 | C16 | C17 | 120.1° | 120.1° |
| C16 | C15 | H15 | 119.3° | 119.9° |
| C15 | C16 | H16 | 120.0° | 119.9° |
| C16 | C17 | C18 | 119.7° | 119.9° |
| C17 | C16 | H16 | 119.9° | 120.0° |
| C16 | C17 | H17 | 120.2° | 120.0° |
| C17 | C18 | C19 | 119.4° | 119.8° |
| C17 | C18 | C20 | 120.8° | 120.1° |
| C18 | C17 | H17 | 120.2° | 120.1° |
| C19 | C18 | C20 | 119.7° | 120.1° |
| C18 | C19 | H19 | 119.3° | 120.0° |
| C18 | C20 | C21 | 120.1° | 120.5° |
| C18 | C20 | C25 | 121.8° | 120.5° |
| C21 | C20 | C25 | 118.1° | 118.9° |
| C20 | C21 | C22 | 119.0° | 118.3° |
| C20 | C21 | H21 | 120.5° | 120.8° |
| C20 | C25 | N24 | 120.9° | 120.6° |
| C20 | C25 | H25 | 119.6° | 119.7° |
| C21 | C22 | C23 | 118.9° | 119.3° |
| C22 | C21 | H21 | 120.5° | 120.9° |
| C21 | C22 | H22 | 120.6° | 120.3° |
| C22 | C23 | N24 | 121.2° | 121.0° |
| C23 | C22 | H22 | 120.6° | 120.4° |
| C22 | C23 | H23 | 119.4° | 119.5° |
| C23 | N24 | C25 | 122.0° | 121.8° |
| N24 | C23 | H23 | 119.4° | 119.4° |
| N24 | C25 | H25 | 119.6° | 119.7° |
| H11C | C1 | H12C | 109.5° | 109.4° |
| H11C | C1 | H13C | 109.4° | 109.4° |
| H12C | C1 | H13C | 109.5° | 109.4° |
| H71N | N7 | H72N | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | N3 | N6 | 112.5° | 118.9° |
| C1 | C2 | N3 | C14 | 126.6° | 122.1° |
| C1 | C2 | N6 | C14 | 122.0° | 122.2° |
| C1 | C2 | N3 | C4 | 108.4° | 118.9° |
| C1 | C2 | N6 | C5 | 111.0° | 118.9° |
| C1 | C2 | C14 | C15 | 22.4° | 90.7° |
| C1 | C2 | C14 | C19 | 157.0° | 89.6° |
| C2 | C1 | H11C | H12C | 120.0° | 120.0° |
| C2 | C1 | H11C | H13C | 120.0° | 120.1° |
| C2 | C1 | H12C | H13C | 120.0° | 120.0° |
| C1 | C2 | N3 | H3 | 131.9° | 61.1° |
| C1 | C2 | N6 | H6 | 8.8° | 61.1° |
| N3 | C2 | N6 | C14 | 123.1° | 119.0° |
| C2 | N3 | C4 | H3 | 119.7° | 180.0° |
| C2 | N3 | C4 | C5 | 2.9° | 0.0° |
| C2 | N3 | C4 | C8 | 178.7° | 179.9° |
| N3 | C2 | N6 | C5 | 3.9° | 0.0° |
| N3 | C2 | C14 | C15 | 102.1° | 31.5° |
| N3 | C2 | C14 | C19 | 78.4° | 148.3° |
| N3 | C2 | C1 | H11C | 180.0° | 60.7° |
| N3 | C2 | C1 | H12C | 60.0° | 179.3° |
| N3 | C2 | C1 | H13C | 60.0° | 59.4° |
| N3 | C2 | N6 | H6 | 123.8° | 180.0° |
| N6 | C2 | N3 | C4 | 4.1° | 0.0° |
| C2 | N6 | C5 | C4 | 2.3° | 0.0° |
| C2 | N6 | C5 | H6 | 119.8° | 180.0° |
| C2 | N6 | C5 | N7 | 179.8° | 179.9° |
| N6 | C2 | C14 | C15 | 140.0° | 147.1° |
| N6 | C2 | C14 | C19 | 39.5° | 32.6° |
| N6 | C2 | C1 | H11C | 67.7° | 176.2° |
| N6 | C2 | C1 | H12C | 52.3° | 63.8° |
| N6 | C2 | C1 | H13C | 172.3° | 56.2° |
| N6 | C2 | N3 | H3 | 115.6° | 180.0° |
| C14 | C2 | N3 | C4 | 125.1° | 119.0° |
| C14 | C2 | N6 | C5 | 127.0° | 118.9° |
| C2 | C14 | C15 | C19 | 179.4° | 179.7° |
| C2 | C14 | C15 | C16 | 178.3° | 179.9° |
| C2 | C14 | C19 | C18 | 178.3° | 179.8° |
| C14 | C2 | C1 | H11C | 52.8° | 61.5° |
| C14 | C2 | C1 | H12C | 172.8° | 58.5° |
| C14 | C2 | C1 | H13C | 67.2° | 178.5° |
| C14 | C2 | N3 | H3 | 5.3° | 61.0° |
| C14 | C2 | N6 | H6 | 113.2° | 61.1° |
| C2 | C14 | C15 | H15 | 1.7° | 0.0° |
| C2 | C14 | C19 | H19 | 1.7° | 0.0° |
| N3 | C4 | C5 | C8 | 178.5° | 180.0° |
| N3 | C4 | C5 | N6 | 0.4° | 0.0° |
| N3 | C4 | C5 | N7 | 177.5° | 180.0° |
| N3 | C4 | C8 | C9 | 123.6° | 46.8° |
| N3 | C4 | C8 | C13 | 58.7° | 132.9° |
| C4 | C5 | N6 | N7 | 177.9° | 180.0° |
| C5 | C4 | C8 | C9 | 58.2° | 133.1° |
| C5 | C4 | C8 | C13 | 119.5° | 47.1° |
| C5 | C4 | N3 | H3 | 116.9° | 180.0° |
| C4 | C5 | N6 | H6 | 122.1° | 180.0° |
| C4 | C5 | N7 | H71N | 180.0° | 6.3° |
| C4 | C5 | N7 | H72N | 60.0° | 173.7° |
| C8 | C4 | C5 | N6 | 178.9° | 180.0° |
| C8 | C4 | C5 | N7 | 1.0° | 0.0° |
| C4 | C8 | C9 | C13 | 177.7° | 179.7° |
| C4 | C8 | C9 | C10 | 178.3° | 180.0° |
| C4 | C8 | C13 | C12 | 178.8° | 179.8° |
| C8 | C4 | N3 | H3 | 61.5° | 0.1° |
| C4 | C8 | C9 | H9 | 1.7° | 0.0° |
| C4 | C8 | C13 | H13 | 1.2° | 0.0° |
| N6 | C5 | N7 | H71N | 2.4° | 173.7° |
| N6 | C5 | N7 | H72N | 117.6° | 6.4° |
| N7 | C5 | N6 | H6 | 59.9° | 0.0° |
| C5 | N7 | H71N | H72N | 120.0° | 179.9° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.0° | 0.0° |
| C9 | C8 | C13 | C12 | 1.1° | 0.5° |
| C9 | C8 | C13 | H13 | 178.9° | 179.7° |
| C8 | C9 | C10 | H10 | 180.0° | 180.0° |
| C13 | C8 | C9 | C10 | 0.6° | 0.2° |
| C8 | C13 | C12 | C11 | 1.1° | 0.5° |
| C8 | C13 | C12 | H13 | 180.0° | 179.8° |
| C13 | C8 | C9 | H9 | 179.4° | 179.8° |
| C8 | C13 | C12 | H12 | 178.9° | 179.7° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.0° | 0.0° |
| C9 | C10 | C11 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.6° | 0.2° |
| C11 | C10 | C9 | H9 | 179.9° | 180.0° |
| C10 | C11 | C12 | H12 | 179.4° | 179.9° |
| C11 | C12 | C13 | H12 | 180.0° | 179.8° |
| C11 | C12 | C13 | H13 | 178.9° | 179.7° |
| C12 | C11 | C10 | H10 | 180.0° | 180.0° |
| C13 | C12 | C11 | H11 | 179.5° | 179.7° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 1.1° | 0.0° |
| C15 | C14 | C19 | C18 | 1.2° | 0.4° |
| C15 | C14 | C19 | H19 | 178.8° | 179.8° |
| C14 | C15 | C16 | H16 | 178.9° | 180.0° |
| C19 | C14 | C15 | C16 | 1.1° | 0.2° |
| C14 | C19 | C18 | C17 | 1.1° | 0.4° |
| C14 | C19 | C18 | H19 | 180.0° | 179.8° |
| C14 | C19 | C18 | C20 | 177.3° | 179.7° |
| C19 | C14 | C15 | H15 | 178.9° | 179.8° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 1.1° | 0.0° |
| C15 | C16 | C17 | H17 | 178.9° | 179.9° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 1.1° | 0.2° |
| C16 | C17 | C18 | C20 | 177.2° | 180.0° |
| C17 | C16 | C15 | H15 | 178.9° | 180.0° |
| C17 | C18 | C19 | C20 | 176.1° | 179.8° |
| C17 | C18 | C20 | C21 | 57.8° | 0.0° |
| C17 | C18 | C20 | C25 | 124.5° | 179.8° |
| C17 | C18 | C19 | H19 | 178.9° | 179.8° |
| C18 | C17 | C16 | H16 | 178.9° | 180.0° |
| C19 | C18 | C20 | C21 | 118.3° | 179.8° |
| C19 | C18 | C20 | C25 | 59.4° | 0.0° |
| C19 | C18 | C17 | H17 | 178.9° | 179.8° |
| C18 | C20 | C21 | C25 | 177.8° | 179.8° |
| C18 | C20 | C21 | C22 | 178.5° | 180.0° |
| C18 | C20 | C25 | N24 | 176.5° | 179.8° |
| C20 | C18 | C19 | H19 | 2.7° | 0.0° |
| C20 | C18 | C17 | H17 | 2.8° | 0.0° |
| C18 | C20 | C21 | H21 | 1.5° | 0.0° |
| C18 | C20 | C25 | H25 | 3.5° | 0.0° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 1.8° | 0.0° |
| C21 | C20 | C25 | N24 | 1.3° | 0.4° |
| C21 | C20 | C25 | H25 | 178.7° | 179.8° |
| C20 | C21 | C22 | H22 | 178.3° | 180.0° |
| C25 | C20 | C21 | C22 | 0.7° | 0.2° |
| C20 | C25 | N24 | C23 | 2.3° | 0.5° |
| C20 | C25 | N24 | H25 | 180.0° | 179.8° |
| C25 | C20 | C21 | H21 | 179.3° | 179.8° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | N24 | 0.9° | 0.0° |
| C21 | C22 | C23 | H23 | 179.1° | 180.0° |
| C22 | C23 | N24 | H23 | 180.0° | 180.0° |
| C22 | C23 | N24 | C25 | 1.1° | 0.3° |
| C23 | C22 | C21 | H21 | 178.2° | 180.0° |
| C23 | N24 | C25 | H25 | 177.7° | 179.7° |
| N24 | C23 | C22 | H22 | 179.1° | 180.0° |
| C25 | N24 | C23 | H23 | 178.8° | 179.7° |
| H11C | C1 | H12C | H13C | 120.0° | 119.9° |
| H9 | C9 | C10 | H10 | 0.0° | 0.0° |
| H13 | C13 | C12 | H12 | 1.1° | 0.1° |
| H10 | C10 | C11 | H11 | 0.0° | 0.0° |
| H11 | C11 | C12 | H12 | 0.6° | 0.1° |
| H15 | C15 | C16 | H16 | 1.1° | 0.0° |
| H16 | C16 | C17 | H17 | 1.1° | 0.1° |
| H21 | C21 | C22 | H22 | 1.7° | 0.0° |
| H22 | C22 | C23 | H23 | 0.9° | 0.0° |
