DL8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C11 | C10 | sing | 1.48Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.37Å | 1.33Å | Aromatic |
| C10 | N4 | sing | 1.35Å | 1.33Å | Aromatic |
| C9 | N2 | sing | 1.35Å | 1.33Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N4 | N3 | doub | 1.29Å | 1.24Å | Aromatic |
| N3 | N2 | sing | 1.29Å | 1.24Å | Aromatic |
| N2 | C8 | sing | 1.47Å | 1.47Å | |
| C8 | C7 | sing | 1.51Å | 1.54Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C7 | N1 | sing | 1.35Å | 1.33Å | |
| C7 | O7 | doub | 1.21Å | 1.23Å | |
| N1 | C1 | sing | 1.46Å | 1.48Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | O5 | sing | 1.43Å | 1.45Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O5 | C5 | sing | 1.43Å | 1.44Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C13 | 120.2° | 119.9° |
| C11 | C12 | H12 | 119.9° | 120.1° |
| C12 | C11 | C16 | 119.6° | 119.8° |
| C12 | C11 | C10 | 120.2° | 120.1° |
| C13 | C12 | H12 | 119.9° | 120.0° |
| C12 | C13 | C14 | 120.0° | 120.1° |
| C12 | C13 | H13 | 120.0° | 119.9° |
| C14 | C13 | H13 | 120.0° | 120.0° |
| C13 | C14 | C15 | 119.9° | 120.2° |
| C13 | C14 | H14 | 120.0° | 119.9° |
| C15 | C14 | H14 | 120.1° | 119.9° |
| C14 | C15 | C16 | 120.0° | 120.1° |
| C14 | C15 | H15 | 120.0° | 119.9° |
| C16 | C15 | H15 | 120.0° | 120.0° |
| C15 | C16 | C11 | 120.3° | 119.9° |
| C15 | C16 | H16 | 119.9° | 120.0° |
| C11 | C16 | H16 | 119.9° | 120.1° |
| C16 | C11 | C10 | 120.2° | 120.1° |
| C11 | C10 | C9 | 126.9° | 126.9° |
| C11 | C10 | N4 | 126.9° | 126.9° |
| C9 | C10 | N4 | 106.1° | 106.2° |
| C10 | C9 | N2 | 104.2° | 106.0° |
| C10 | C9 | H9 | 127.9° | 126.9° |
| C10 | N4 | N3 | 109.1° | 108.8° |
| N2 | C9 | H9 | 127.9° | 127.0° |
| C9 | N2 | N3 | 110.9° | 108.5° |
| C9 | N2 | C8 | 123.1° | 125.7° |
| N4 | N3 | N2 | 109.7° | 110.5° |
| N3 | N2 | C8 | 126.0° | 125.8° |
| N2 | C8 | C7 | 112.9° | 109.5° |
| N2 | C8 | H81 | 108.4° | 109.4° |
| N2 | C8 | H82 | 107.6° | 109.5° |
| C7 | C8 | H81 | 108.3° | 109.4° |
| C7 | C8 | H82 | 107.6° | 109.5° |
| C8 | C7 | N1 | 113.4° | 120.0° |
| C8 | C7 | O7 | 122.4° | 120.0° |
| H81 | C8 | H82 | 112.1° | 109.5° |
| N1 | C7 | O7 | 124.3° | 120.0° |
| C7 | N1 | C1 | 121.8° | 120.0° |
| C7 | N1 | HN1 | 119.1° | 119.9° |
| C1 | N1 | HN1 | 119.1° | 120.0° |
| N1 | C1 | C2 | 110.5° | 109.5° |
| N1 | C1 | O5 | 104.5° | 109.4° |
| N1 | C1 | H1 | 112.7° | 109.5° |
| C2 | C1 | O5 | 111.5° | 109.4° |
| C2 | C1 | H1 | 105.9° | 109.5° |
| C1 | C2 | C3 | 111.2° | 109.1° |
| C1 | C2 | O2 | 109.6° | 109.5° |
| C1 | C2 | H2 | 108.7° | 109.5° |
| O5 | C1 | H1 | 111.8° | 109.4° |
| C1 | O5 | C5 | 114.0° | 114.1° |
| O5 | C5 | C4 | 108.2° | 109.4° |
| O5 | C5 | C6 | 107.9° | 109.5° |
| O5 | C5 | H5 | 112.5° | 109.5° |
| C4 | C5 | C6 | 112.7° | 109.5° |
| C4 | C5 | H5 | 107.7° | 109.5° |
| C5 | C4 | O4 | 110.4° | 109.5° |
| C5 | C4 | C3 | 110.5° | 109.1° |
| C5 | C4 | H4 | 108.5° | 109.5° |
| C6 | C5 | H5 | 107.9° | 109.5° |
| C5 | C6 | O6 | 109.5° | 109.5° |
| C5 | C6 | H61 | 109.5° | 109.4° |
| C5 | C6 | H62 | 109.4° | 109.5° |
| O6 | C6 | H61 | 109.5° | 109.5° |
| O6 | C6 | H62 | 109.4° | 109.4° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.5° | 109.4° |
| O4 | C4 | C3 | 110.7° | 109.5° |
| O4 | C4 | H4 | 108.3° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C3 | C4 | H4 | 108.2° | 109.6° |
| C4 | C3 | O3 | 109.6° | 109.5° |
| C4 | C3 | C2 | 110.9° | 109.1° |
| C4 | C3 | H3 | 108.3° | 109.6° |
| O3 | C3 | C2 | 109.0° | 109.5° |
| O3 | C3 | H3 | 110.2° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C2 | C3 | H3 | 108.9° | 109.6° |
| C3 | C2 | O2 | 110.8° | 109.6° |
| C3 | C2 | H2 | 107.4° | 109.6° |
| O2 | C2 | H2 | 109.0° | 109.6° |
| C2 | O2 | HO2 | 109.5° | 114.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C13 | H12 | 180.0° | 179.7° |
| C11 | C12 | C13 | C14 | 0.3° | 0.0° |
| C11 | C12 | C13 | H13 | 179.7° | 180.0° |
| C12 | C11 | C16 | C15 | 0.2° | 0.0° |
| C12 | C11 | C16 | C10 | 179.9° | 179.9° |
| C12 | C11 | C16 | H16 | 179.8° | 180.0° |
| C12 | C11 | C10 | C9 | 172.3° | 180.0° |
| C12 | C11 | C10 | N4 | 7.8° | 0.3° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.4° | 0.0° |
| C12 | C13 | C14 | H14 | 179.5° | 179.9° |
| C13 | C12 | C11 | C16 | 0.0° | 0.0° |
| C13 | C12 | C11 | C10 | 179.9° | 180.0° |
| H12 | C12 | C13 | C14 | 179.7° | 179.7° |
| H12 | C12 | C13 | H13 | 0.3° | 0.3° |
| H12 | C12 | C11 | C16 | 180.0° | 179.7° |
| H12 | C12 | C11 | C10 | 0.1° | 0.2° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C13 | C14 | C15 | H15 | 179.8° | 180.0° |
| H13 | C13 | C14 | C15 | 179.5° | 180.0° |
| H13 | C13 | C14 | H14 | 0.5° | 0.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C11 | 0.1° | 0.0° |
| C14 | C15 | C16 | H16 | 180.0° | 180.0° |
| H14 | C14 | C15 | C16 | 179.7° | 179.9° |
| H14 | C14 | C15 | H15 | 0.2° | 0.0° |
| C15 | C16 | C11 | H16 | 180.0° | 180.0° |
| C15 | C16 | C11 | C10 | 179.9° | 180.0° |
| H15 | C15 | C16 | C11 | 179.9° | 180.0° |
| H15 | C15 | C16 | H16 | 0.1° | 0.0° |
| C16 | C11 | C10 | C9 | 7.6° | 0.1° |
| C16 | C11 | C10 | N4 | 172.3° | 179.7° |
| H16 | C16 | C11 | C10 | 0.1° | 0.1° |
| C11 | C10 | C9 | N4 | 179.9° | 179.8° |
| C11 | C10 | C9 | N2 | 179.8° | 180.0° |
| C11 | C10 | C9 | H9 | 0.2° | 0.0° |
| C11 | C10 | N4 | N3 | 179.9° | 180.0° |
| C10 | C9 | N2 | H9 | 180.0° | 180.0° |
| C9 | C10 | N4 | N3 | 0.2° | 0.2° |
| C10 | C9 | N2 | N3 | 0.3° | 0.2° |
| C10 | C9 | N2 | C8 | 179.9° | 180.0° |
| N4 | C10 | C9 | N2 | 0.1° | 0.2° |
| N4 | C10 | C9 | H9 | 179.9° | 179.8° |
| C10 | N4 | N3 | N2 | 0.4° | 0.1° |
| C9 | N2 | N3 | N4 | 0.5° | 0.1° |
| C9 | N2 | N3 | C8 | 179.6° | 179.8° |
| C9 | N2 | C8 | C7 | 133.1° | 125.0° |
| C9 | N2 | C8 | H81 | 13.1° | 115.1° |
| C9 | N2 | C8 | H82 | 108.3° | 4.9° |
| H9 | C9 | N2 | N3 | 179.7° | 179.8° |
| H9 | C9 | N2 | C8 | 0.1° | 0.1° |
| N4 | N3 | N2 | C8 | 179.9° | 179.8° |
| N3 | N2 | C8 | C7 | 47.4° | 54.8° |
| N3 | N2 | C8 | H81 | 167.4° | 65.2° |
| N3 | N2 | C8 | H82 | 71.2° | 174.8° |
| N2 | C8 | C7 | H81 | 120.0° | 119.9° |
| N2 | C8 | C7 | H82 | 118.6° | 120.1° |
| N2 | C8 | H81 | H82 | 118.6° | 120.0° |
| N2 | C8 | C7 | N1 | 174.5° | 180.0° |
| N2 | C8 | C7 | O7 | 5.5° | 0.1° |
| C7 | C8 | H81 | H82 | 118.6° | 120.0° |
| C8 | C7 | N1 | O7 | 180.0° | 179.9° |
| C8 | C7 | N1 | C1 | 178.7° | 180.0° |
| C8 | C7 | N1 | HN1 | 1.3° | 0.1° |
| H81 | C8 | C7 | N1 | 54.5° | 60.0° |
| H81 | C8 | C7 | O7 | 125.5° | 120.0° |
| H82 | C8 | C7 | N1 | 67.0° | 59.9° |
| H82 | C8 | C7 | O7 | 113.1° | 120.0° |
| C7 | N1 | C1 | HN1 | 180.0° | 179.9° |
| C7 | N1 | C1 | C2 | 137.2° | 145.0° |
| C7 | N1 | C1 | O5 | 102.7° | 95.1° |
| C7 | N1 | C1 | H1 | 18.9° | 24.9° |
| O7 | C7 | N1 | C1 | 1.4° | 0.1° |
| O7 | C7 | N1 | HN1 | 178.6° | 180.0° |
| N1 | C1 | C2 | O5 | 115.8° | 119.9° |
| N1 | C1 | C2 | H1 | 122.4° | 120.1° |
| N1 | C1 | O5 | H1 | 122.2° | 120.0° |
| N1 | C1 | O5 | C5 | 178.6° | 178.9° |
| N1 | C1 | C2 | C3 | 166.7° | 177.5° |
| N1 | C1 | C2 | O2 | 70.4° | 62.5° |
| N1 | C1 | C2 | H2 | 48.7° | 57.6° |
| HN1 | N1 | C1 | C2 | 42.8° | 34.9° |
| HN1 | N1 | C1 | O5 | 77.3° | 85.0° |
| HN1 | N1 | C1 | H1 | 161.1° | 155.0° |
| C2 | C1 | O5 | H1 | 118.3° | 120.1° |
| C2 | C1 | O5 | C5 | 59.1° | 61.1° |
| C1 | C2 | C3 | C4 | 49.5° | 57.0° |
| C1 | C2 | C3 | O3 | 170.2° | 176.9° |
| C1 | C2 | C3 | O2 | 122.2° | 119.9° |
| C1 | C2 | C3 | H2 | 118.8° | 119.9° |
| C1 | C2 | C3 | H3 | 69.6° | 63.0° |
| C1 | C2 | O2 | H2 | 118.9° | 120.1° |
| C1 | C2 | O2 | HO2 | 1.9° | 60.0° |
| C1 | O5 | C5 | C4 | 62.2° | 61.2° |
| C1 | O5 | C5 | C6 | 175.6° | 178.9° |
| C1 | O5 | C5 | H5 | 56.7° | 58.9° |
| O5 | C1 | C2 | C3 | 50.9° | 57.6° |
| O5 | C1 | C2 | O2 | 173.8° | 177.6° |
| O5 | C1 | C2 | H2 | 67.1° | 62.3° |
| H1 | C1 | O5 | C5 | 59.2° | 58.9° |
| H1 | C1 | C2 | C3 | 70.9° | 62.4° |
| H1 | C1 | C2 | O2 | 52.0° | 57.6° |
| H1 | C1 | C2 | H2 | 171.1° | 177.7° |
| O5 | C5 | C4 | C6 | 119.2° | 119.9° |
| O5 | C5 | C4 | H5 | 121.9° | 120.0° |
| O5 | C5 | C6 | H5 | 121.8° | 120.0° |
| O5 | C5 | C6 | O6 | 62.3° | 65.0° |
| O5 | C5 | C6 | H61 | 57.7° | 175.0° |
| O5 | C5 | C6 | H62 | 177.8° | 55.0° |
| O5 | C5 | C4 | O4 | 178.5° | 177.5° |
| O5 | C5 | C4 | C3 | 58.6° | 57.6° |
| O5 | C5 | C4 | H4 | 59.9° | 62.4° |
| C4 | C5 | C6 | H5 | 118.8° | 120.1° |
| C4 | C5 | C6 | O6 | 57.1° | 175.1° |
| C4 | C5 | C6 | H61 | 177.2° | 55.1° |
| C4 | C5 | C6 | H62 | 62.8° | 64.9° |
| C5 | C4 | O4 | C3 | 122.8° | 119.6° |
| C5 | C4 | O4 | H4 | 118.7° | 120.1° |
| C5 | C4 | C3 | H4 | 118.7° | 120.0° |
| C5 | C4 | O4 | HO4 | 15.1° | 179.9° |
| C5 | C4 | C3 | O3 | 174.2° | 176.8° |
| C5 | C4 | C3 | C2 | 53.8° | 57.0° |
| C5 | C4 | C3 | H3 | 65.6° | 63.0° |
| C5 | C6 | O6 | H61 | 120.0° | 120.0° |
| C5 | C6 | O6 | H62 | 120.0° | 120.1° |
| C5 | C6 | H61 | H62 | 120.0° | 120.1° |
| C5 | C6 | O6 | HO6 | 77.9° | 180.0° |
| C6 | C5 | C4 | O4 | 59.3° | 62.5° |
| C6 | C5 | C4 | C3 | 177.8° | 177.6° |
| C6 | C5 | C4 | H4 | 59.3° | 57.6° |
| H5 | C5 | C6 | O6 | 175.9° | 55.0° |
| H5 | C5 | C6 | H61 | 64.1° | 65.0° |
| H5 | C5 | C6 | H62 | 55.9° | 175.0° |
| H5 | C5 | C4 | O4 | 59.6° | 57.5° |
| H5 | C5 | C4 | C3 | 63.2° | 62.4° |
| H5 | C5 | C4 | H4 | 178.2° | 177.6° |
| O6 | C6 | H61 | H62 | 120.0° | 119.9° |
| H61 | C6 | O6 | HO6 | 162.1° | 60.0° |
| H62 | C6 | O6 | HO6 | 42.1° | 59.9° |
| O4 | C4 | C3 | H4 | 118.6° | 120.2° |
| O4 | C4 | C3 | O3 | 63.1° | 63.3° |
| O4 | C4 | C3 | C2 | 176.5° | 176.9° |
| O4 | C4 | C3 | H3 | 57.1° | 56.9° |
| C3 | C4 | O4 | HO4 | 107.7° | 60.3° |
| C4 | C3 | O3 | C2 | 121.5° | 119.5° |
| C4 | C3 | O3 | H3 | 119.0° | 120.2° |
| C4 | C3 | C2 | H3 | 119.0° | 120.0° |
| C4 | C3 | O3 | HO3 | 82.9° | 180.0° |
| C4 | C3 | C2 | O2 | 171.7° | 176.9° |
| C4 | C3 | C2 | H2 | 69.3° | 62.8° |
| H4 | C4 | O4 | HO4 | 133.8° | 60.0° |
| H4 | C4 | C3 | O3 | 55.4° | 56.9° |
| H4 | C4 | C3 | C2 | 64.9° | 62.9° |
| H4 | C4 | C3 | H3 | 175.7° | 177.1° |
| O3 | C3 | C2 | H3 | 120.2° | 120.2° |
| O3 | C3 | C2 | O2 | 67.6° | 63.3° |
| O3 | C3 | C2 | H2 | 51.4° | 57.0° |
| C2 | C3 | O3 | HO3 | 155.6° | 60.4° |
| C3 | C2 | O2 | H2 | 118.0° | 120.2° |
| C3 | C2 | O2 | HO2 | 124.9° | 179.7° |
| H3 | C3 | O3 | HO3 | 36.2° | 59.8° |
| H3 | C3 | C2 | O2 | 52.6° | 56.9° |
| H3 | C3 | C2 | H2 | 171.6° | 177.2° |
| H2 | C2 | O2 | HO2 | 117.0° | 60.1° |
