8T4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.46Å | 1.46Å | |
| N2 | N1 | sing | 1.40Å | 1.36Å | Aromatic |
| N2 | C4 | doub | 1.31Å | 1.32Å | Aromatic |
| N1 | C2 | sing | 1.35Å | 1.37Å | Aromatic |
| C4 | C3 | sing | 1.41Å | 1.40Å | Aromatic |
| C2 | N3 | sing | 1.39Å | 1.41Å | |
| C2 | C3 | doub | 1.38Å | 1.45Å | Aromatic |
| C14 | N3 | sing | 1.37Å | 1.38Å | Aromatic |
| C14 | C13 | doub | 1.35Å | 1.36Å | Aromatic |
| N3 | C11 | sing | 1.37Å | 1.38Å | Aromatic |
| C3 | C5 | sing | 1.48Å | 1.48Å | |
| C13 | C12 | sing | 1.41Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.35Å | 1.36Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | N2 | 120.4° | 125.9° |
| C1 | N1 | C2 | 129.1° | 125.9° |
| N1 | C1 | H1 | 109.5° | 109.5° |
| N1 | C1 | H2 | 109.5° | 109.5° |
| N1 | C1 | H3 | 109.5° | 109.5° |
| N1 | N2 | C4 | 109.8° | 108.9° |
| N2 | N1 | C2 | 110.5° | 108.2° |
| N2 | C4 | C3 | 108.4° | 108.3° |
| N2 | C4 | H4 | 125.8° | 125.9° |
| N1 | C2 | N3 | 125.9° | 126.3° |
| N1 | C2 | C3 | 104.8° | 107.2° |
| C4 | C3 | C2 | 106.6° | 107.3° |
| C4 | C3 | C5 | 119.4° | 126.4° |
| C3 | C4 | H4 | 125.8° | 125.9° |
| N3 | C2 | C3 | 129.3° | 126.4° |
| C2 | N3 | C14 | 127.8° | 125.7° |
| C2 | N3 | C11 | 127.5° | 125.7° |
| C2 | C3 | C5 | 134.0° | 126.3° |
| N3 | C14 | C13 | 110.7° | 108.2° |
| C14 | N3 | C11 | 104.7° | 108.6° |
| N3 | C14 | H13 | 124.6° | 125.9° |
| C14 | C13 | C12 | 107.0° | 107.5° |
| C14 | C13 | H12 | 126.5° | 126.2° |
| C13 | C14 | H13 | 124.7° | 125.9° |
| N3 | C11 | C12 | 111.0° | 108.2° |
| N3 | C11 | H10 | 124.5° | 125.9° |
| C3 | C5 | C6 | 117.3° | 120.1° |
| C3 | C5 | C10 | 124.7° | 120.1° |
| C13 | C12 | C11 | 106.7° | 107.5° |
| C13 | C12 | H11 | 126.7° | 126.2° |
| C12 | C13 | H12 | 126.5° | 126.3° |
| C12 | C11 | H10 | 124.5° | 125.9° |
| C11 | C12 | H11 | 126.7° | 126.3° |
| C6 | C5 | C10 | 118.0° | 119.8° |
| C5 | C6 | C7 | 120.3° | 119.8° |
| C5 | C6 | H5 | 119.9° | 120.1° |
| C5 | C10 | C9 | 121.5° | 119.8° |
| C5 | C10 | H9 | 119.3° | 120.1° |
| C6 | C7 | C8 | 120.8° | 120.2° |
| C7 | C6 | H5 | 119.8° | 120.1° |
| C6 | C7 | H6 | 119.6° | 119.9° |
| C10 | C9 | C8 | 119.6° | 120.1° |
| C10 | C9 | H8 | 120.2° | 120.0° |
| C9 | C10 | H9 | 119.3° | 120.0° |
| C7 | C8 | C9 | 119.9° | 120.2° |
| C8 | C7 | H6 | 119.6° | 119.9° |
| C7 | C8 | H7 | 120.0° | 119.9° |
| C9 | C8 | H7 | 120.0° | 119.9° |
| C8 | C9 | H8 | 120.2° | 119.9° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | N2 | C2 | 179.0° | 179.8° |
| C1 | N1 | N2 | C4 | 179.0° | 179.8° |
| C1 | N1 | C2 | N3 | 0.3° | 0.1° |
| C1 | N1 | C2 | C3 | 178.8° | 180.0° |
| N1 | C1 | H1 | H2 | 120.0° | 120.0° |
| N1 | C1 | H1 | H3 | 120.0° | 120.0° |
| N1 | C1 | H2 | H3 | 120.0° | 120.0° |
| N1 | N2 | C4 | C3 | 0.2° | 0.4° |
| N2 | N1 | C2 | N3 | 179.2° | 179.8° |
| N2 | N1 | C2 | C3 | 0.1° | 0.2° |
| N2 | N1 | C1 | H1 | 0.0° | 90.3° |
| N2 | N1 | C1 | H2 | 120.0° | 29.8° |
| N2 | N1 | C1 | H3 | 120.0° | 149.7° |
| N1 | N2 | C4 | H4 | 179.8° | 179.9° |
| C4 | N2 | N1 | C2 | 0.1° | 0.4° |
| N2 | C4 | C3 | H4 | 180.0° | 179.7° |
| N2 | C4 | C3 | C2 | 0.2° | 0.3° |
| N2 | C4 | C3 | C5 | 179.5° | 179.8° |
| N1 | C2 | C3 | C4 | 0.1° | 0.0° |
| N1 | C2 | N3 | C3 | 178.9° | 180.0° |
| N1 | C2 | N3 | C14 | 14.3° | 134.7° |
| N1 | C2 | N3 | C11 | 164.7° | 45.1° |
| N1 | C2 | C3 | C5 | 179.3° | 180.0° |
| C2 | N1 | C1 | H1 | 178.7° | 89.9° |
| C2 | N1 | C1 | H2 | 58.8° | 150.0° |
| C2 | N1 | C1 | H3 | 61.3° | 30.1° |
| C4 | C3 | C2 | N3 | 179.2° | 180.0° |
| C4 | C3 | C2 | C5 | 179.2° | 179.9° |
| C4 | C3 | C5 | C6 | 15.2° | 50.1° |
| C4 | C3 | C5 | C10 | 164.7° | 129.7° |
| C2 | N3 | C14 | C11 | 179.1° | 179.8° |
| C2 | N3 | C14 | C13 | 179.7° | 179.8° |
| N3 | C2 | C3 | C5 | 1.6° | 0.1° |
| C2 | N3 | C11 | C12 | 179.6° | 180.0° |
| C2 | N3 | C11 | H10 | 0.4° | 0.1° |
| C2 | N3 | C14 | H13 | 0.3° | 0.0° |
| C3 | C2 | N3 | C14 | 166.8° | 45.3° |
| C3 | C2 | N3 | C11 | 14.3° | 135.0° |
| C2 | C3 | C5 | C6 | 165.7° | 130.0° |
| C2 | C3 | C5 | C10 | 14.4° | 50.2° |
| C2 | C3 | C4 | H4 | 179.8° | 180.0° |
| N3 | C14 | C13 | H13 | 180.0° | 179.8° |
| N3 | C14 | C13 | C12 | 0.5° | 0.4° |
| C14 | N3 | C11 | C12 | 0.4° | 0.3° |
| C14 | N3 | C11 | H10 | 179.6° | 179.7° |
| N3 | C14 | C13 | H12 | 179.6° | 179.8° |
| C13 | C14 | N3 | C11 | 0.5° | 0.4° |
| C14 | C13 | C12 | H12 | 180.0° | 179.8° |
| C14 | C13 | C12 | C11 | 0.2° | 0.3° |
| C14 | C13 | C12 | H11 | 179.8° | 179.8° |
| N3 | C11 | C12 | C13 | 0.2° | 0.0° |
| N3 | C11 | C12 | H10 | 180.0° | 180.0° |
| N3 | C11 | C12 | H11 | 179.8° | 180.0° |
| C11 | N3 | C14 | H13 | 179.5° | 179.8° |
| C3 | C5 | C6 | C10 | 179.9° | 179.7° |
| C3 | C5 | C6 | C7 | 179.5° | 180.0° |
| C3 | C5 | C10 | C9 | 179.8° | 179.7° |
| C5 | C3 | C4 | H4 | 0.5° | 0.1° |
| C3 | C5 | C6 | H5 | 0.4° | 0.0° |
| C3 | C5 | C10 | H9 | 0.2° | 0.0° |
| C13 | C12 | C11 | H11 | 180.0° | 180.0° |
| C13 | C12 | C11 | H10 | 179.8° | 180.0° |
| C12 | C13 | C14 | H13 | 179.5° | 179.8° |
| C11 | C12 | C13 | H12 | 179.8° | 180.0° |
| C5 | C6 | C7 | H5 | 180.0° | 180.0° |
| C6 | C5 | C10 | C9 | 0.3° | 0.5° |
| C5 | C6 | C7 | C8 | 0.6° | 0.0° |
| C5 | C6 | C7 | H6 | 179.5° | 180.0° |
| C6 | C5 | C10 | H9 | 179.7° | 179.8° |
| C10 | C5 | C6 | C7 | 0.6° | 0.3° |
| C5 | C10 | C9 | H9 | 180.0° | 179.7° |
| C5 | C10 | C9 | C8 | 0.1° | 0.6° |
| C10 | C5 | C6 | H5 | 179.4° | 179.8° |
| C5 | C10 | C9 | H8 | 179.9° | 179.7° |
| C6 | C7 | C8 | H6 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.3° | 0.0° |
| C6 | C7 | C8 | H7 | 179.6° | 180.0° |
| C10 | C9 | C8 | C7 | 0.1° | 0.3° |
| C10 | C9 | C8 | H8 | 180.0° | 179.7° |
| C10 | C9 | C8 | H7 | 179.9° | 179.7° |
| C7 | C8 | C9 | H7 | 180.0° | 180.0° |
| C8 | C7 | C6 | H5 | 179.4° | 180.0° |
| C7 | C8 | C9 | H8 | 179.9° | 180.0° |
| C9 | C8 | C7 | H6 | 179.7° | 180.0° |
| C8 | C9 | C10 | H9 | 179.9° | 179.7° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H5 | C6 | C7 | H6 | 0.5° | 0.0° |
| H6 | C7 | C8 | H7 | 0.3° | 0.0° |
| H7 | C8 | C9 | H8 | 0.1° | 0.0° |
| H8 | C9 | C10 | H9 | 0.1° | 0.0° |
| H10 | C11 | C12 | H11 | 0.2° | 0.1° |
| H11 | C12 | C13 | H12 | 0.1° | 0.0° |
| H12 | C13 | C14 | H13 | 0.4° | 0.0° |
