4H8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C4 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | N6 | sing | 1.46Å | 1.45Å | |
| N6 | C7 | sing | 1.38Å | 1.41Å | |
| N16 | C7 | doub | 1.32Å | 1.34Å | Aromatic |
| N16 | C14 | sing | 1.33Å | 1.34Å | Aromatic |
| C7 | N8 | sing | 1.33Å | 1.35Å | Aromatic |
| N15 | C14 | sing | 1.38Å | 1.39Å | |
| C14 | C10 | doub | 1.41Å | 1.38Å | Aromatic |
| N8 | C9 | doub | 1.32Å | 1.33Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.47Å | 1.47Å | |
| O13 | C11 | doub | 1.22Å | 1.23Å | |
| C11 | N12 | sing | 1.35Å | 1.37Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| N12 | H6 | sing | 0.97Å | 1.00Å | |
| N12 | H7 | sing | 0.97Å | 1.00Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| N15 | H15 | sing | 0.97Å | 1.00Å | |
| N15 | H16 | sing | 0.97Å | 1.00Å | |
| N6 | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 108.8° | 109.5° |
| C1 | C2 | C4 | 109.6° | 109.5° |
| C1 | C2 | C5 | 107.7° | 109.5° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C3 | C2 | C4 | 109.9° | 109.4° |
| C3 | C2 | C5 | 109.3° | 109.5° |
| C2 | C3 | H12 | 109.5° | 109.4° |
| C2 | C3 | H13 | 109.4° | 109.4° |
| C2 | C3 | H14 | 109.5° | 109.5° |
| C4 | C2 | C5 | 111.6° | 109.5° |
| C2 | C4 | H1 | 109.5° | 109.4° |
| C2 | C4 | H2 | 109.5° | 109.5° |
| C2 | C4 | H3 | 109.4° | 109.5° |
| C2 | C5 | N6 | 111.9° | 109.5° |
| C2 | C5 | H4 | 108.9° | 109.5° |
| C2 | C5 | H5 | 108.9° | 109.5° |
| C5 | N6 | C7 | 115.6° | 120.0° |
| N6 | C5 | H4 | 108.9° | 109.5° |
| N6 | C5 | H5 | 108.8° | 109.5° |
| C5 | N6 | H17 | 107.9° | 120.0° |
| N6 | C7 | N16 | 120.6° | 119.0° |
| N6 | C7 | N8 | 115.7° | 119.0° |
| C7 | N6 | H17 | 107.9° | 120.0° |
| C7 | N16 | C14 | 118.2° | 120.8° |
| N16 | C7 | N8 | 123.7° | 122.1° |
| N16 | C14 | N15 | 119.3° | 120.6° |
| N16 | C14 | C10 | 121.3° | 118.8° |
| C7 | N8 | C9 | 117.1° | 121.2° |
| N15 | C14 | C10 | 119.4° | 120.6° |
| C14 | N15 | H15 | 109.5° | 120.0° |
| C14 | N15 | H16 | 109.5° | 120.0° |
| C14 | C10 | C9 | 116.9° | 118.2° |
| C14 | C10 | C11 | 122.9° | 120.9° |
| N8 | C9 | C10 | 122.8° | 119.0° |
| N8 | C9 | H8 | 118.6° | 120.5° |
| C9 | C10 | C11 | 120.2° | 120.9° |
| C10 | C9 | H8 | 118.6° | 120.5° |
| C10 | C11 | O13 | 122.4° | 120.0° |
| C10 | C11 | N12 | 113.4° | 120.0° |
| O13 | C11 | N12 | 123.9° | 120.0° |
| C11 | N12 | H6 | 120.0° | 119.9° |
| C11 | N12 | H7 | 120.0° | 120.0° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H1 | C4 | H3 | 109.5° | 109.5° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.4° | 109.5° |
| H6 | N12 | H7 | 120.0° | 120.0° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H9 | C1 | H11 | 109.5° | 109.4° |
| H10 | C1 | H11 | 109.4° | 109.4° |
| H12 | C3 | H13 | 109.4° | 109.5° |
| H12 | C3 | H14 | 109.5° | 109.5° |
| H13 | C3 | H14 | 109.5° | 109.5° |
| H15 | N15 | H16 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C4 | 119.9° | 120.0° |
| C1 | C2 | C3 | C5 | 117.3° | 120.0° |
| C1 | C2 | C4 | C5 | 119.2° | 120.1° |
| C1 | C2 | C5 | N6 | 167.7° | 60.0° |
| C1 | C2 | C4 | H1 | 180.0° | 60.1° |
| C1 | C2 | C4 | H2 | 60.0° | 180.0° |
| C1 | C2 | C4 | H3 | 60.0° | 60.0° |
| C1 | C2 | C5 | H4 | 71.9° | 60.0° |
| C1 | C2 | C5 | H5 | 47.4° | 180.0° |
| C2 | C1 | H9 | H10 | 120.0° | 120.0° |
| C2 | C1 | H9 | H11 | 120.0° | 120.0° |
| C2 | C1 | H10 | H11 | 120.0° | 120.0° |
| C1 | C2 | C3 | H12 | 180.0° | 180.0° |
| C1 | C2 | C3 | H13 | 60.0° | 60.0° |
| C1 | C2 | C3 | H14 | 60.0° | 60.0° |
| C3 | C2 | C4 | C5 | 121.4° | 120.0° |
| C3 | C2 | C5 | N6 | 74.3° | 180.0° |
| C3 | C2 | C4 | H1 | 60.5° | 180.0° |
| C3 | C2 | C4 | H2 | 179.4° | 60.1° |
| C3 | C2 | C4 | H3 | 59.5° | 60.0° |
| C3 | C2 | C5 | H4 | 46.1° | 60.0° |
| C3 | C2 | C5 | H5 | 165.3° | 60.0° |
| C3 | C2 | C1 | H9 | 180.0° | 60.0° |
| C3 | C2 | C1 | H10 | 60.0° | 60.1° |
| C3 | C2 | C1 | H11 | 60.0° | 180.0° |
| C2 | C3 | H12 | H13 | 120.0° | 119.9° |
| C2 | C3 | H12 | H14 | 120.0° | 120.0° |
| C2 | C3 | H13 | H14 | 120.0° | 120.1° |
| C4 | C2 | C5 | N6 | 47.4° | 60.0° |
| C2 | C4 | H1 | H2 | 120.0° | 119.9° |
| C2 | C4 | H1 | H3 | 120.0° | 120.0° |
| C2 | C4 | H2 | H3 | 120.0° | 120.0° |
| C4 | C2 | C5 | H4 | 167.8° | 180.0° |
| C4 | C2 | C5 | H5 | 72.9° | 60.0° |
| C4 | C2 | C1 | H9 | 59.9° | 59.9° |
| C4 | C2 | C1 | H10 | 179.9° | 180.0° |
| C4 | C2 | C1 | H11 | 60.2° | 60.1° |
| C4 | C2 | C3 | H12 | 60.1° | 60.0° |
| C4 | C2 | C3 | H13 | 59.9° | 180.0° |
| C4 | C2 | C3 | H14 | 179.9° | 60.0° |
| C2 | C5 | N6 | H4 | 120.4° | 120.0° |
| C2 | C5 | N6 | H5 | 120.4° | 120.0° |
| C2 | C5 | N6 | C7 | 101.5° | 180.0° |
| C5 | C2 | C4 | H1 | 60.8° | 60.0° |
| C5 | C2 | C4 | H2 | 59.2° | 59.9° |
| C5 | C2 | C4 | H3 | 179.2° | 180.0° |
| C2 | C5 | H4 | H5 | 118.9° | 120.0° |
| C5 | C2 | C1 | H9 | 61.7° | 180.0° |
| C5 | C2 | C1 | H10 | 58.4° | 60.0° |
| C5 | C2 | C1 | H11 | 178.3° | 60.0° |
| C5 | C2 | C3 | H12 | 62.7° | 60.0° |
| C5 | C2 | C3 | H13 | 177.3° | 60.0° |
| C5 | C2 | C3 | H14 | 57.3° | 180.0° |
| C2 | C5 | N6 | H17 | 137.7° | 0.0° |
| C5 | N6 | C7 | H17 | 120.9° | 180.0° |
| C5 | N6 | C7 | N16 | 10.6° | 179.8° |
| C5 | N6 | C7 | N8 | 170.2° | 0.0° |
| N6 | C5 | H4 | H5 | 118.9° | 120.0° |
| N6 | C7 | N16 | N8 | 179.1° | 179.7° |
| N6 | C7 | N16 | C14 | 179.3° | 179.8° |
| N6 | C7 | N8 | C9 | 179.4° | 179.7° |
| C7 | N6 | C5 | H4 | 18.9° | 60.0° |
| C7 | N6 | C5 | H5 | 138.2° | 60.0° |
| C7 | N16 | C14 | N15 | 179.6° | 180.0° |
| C7 | N16 | C14 | C10 | 1.0° | 0.1° |
| N16 | C7 | N8 | C9 | 1.5° | 0.0° |
| N16 | C7 | N6 | H17 | 110.3° | 0.3° |
| C14 | N16 | C7 | N8 | 1.6° | 0.0° |
| N16 | C14 | N15 | C10 | 179.3° | 180.0° |
| N16 | C14 | C10 | C9 | 0.4° | 0.1° |
| N16 | C14 | C10 | C11 | 178.5° | 180.0° |
| N16 | C14 | N15 | H15 | 0.0° | 174.6° |
| N16 | C14 | N15 | H16 | 120.0° | 5.4° |
| C7 | N8 | C9 | C10 | 0.8° | 0.0° |
| C7 | N8 | C9 | H8 | 179.2° | 180.0° |
| N8 | C7 | N6 | H17 | 68.9° | 180.0° |
| N15 | C14 | C10 | C9 | 179.7° | 180.0° |
| N15 | C14 | C10 | C11 | 2.2° | 0.0° |
| C14 | N15 | H15 | H16 | 120.0° | 180.0° |
| C14 | C10 | C9 | N8 | 0.3° | 0.0° |
| C14 | C10 | C9 | C11 | 178.1° | 180.0° |
| C14 | C10 | C11 | O13 | 3.8° | 5.8° |
| C14 | C10 | C11 | N12 | 170.8° | 174.3° |
| C14 | C10 | C9 | H8 | 179.7° | 180.0° |
| C10 | C14 | N15 | H15 | 179.3° | 5.4° |
| C10 | C14 | N15 | H16 | 59.3° | 174.6° |
| N8 | C9 | C10 | H8 | 180.0° | 180.0° |
| N8 | C9 | C10 | C11 | 178.4° | 180.0° |
| C9 | C10 | C11 | O13 | 178.2° | 174.2° |
| C9 | C10 | C11 | N12 | 7.3° | 5.7° |
| C10 | C11 | O13 | N12 | 174.0° | 179.9° |
| C10 | C11 | N12 | H6 | 174.5° | 0.0° |
| C10 | C11 | N12 | H7 | 5.5° | 180.0° |
| C11 | C10 | C9 | H8 | 1.6° | 0.0° |
| O13 | C11 | N12 | H6 | 0.0° | 180.0° |
| O13 | C11 | N12 | H7 | 180.0° | 0.1° |
| C11 | N12 | H6 | H7 | 180.0° | 179.9° |
| H1 | C4 | H2 | H3 | 120.0° | 120.1° |
| H4 | C5 | N6 | H17 | 102.0° | 120.0° |
| H5 | C5 | N6 | H17 | 17.3° | 120.0° |
| H9 | C1 | H10 | H11 | 120.0° | 119.9° |
| H12 | C3 | H13 | H14 | 120.0° | 120.0° |
