O8L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C5 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C4 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | N | sing | 1.40Å | 1.42Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| N | C2 | sing | 1.35Å | 1.36Å | |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| O2 | C16 | doub | 1.21Å | 1.23Å | |
| C2 | O | doub | 1.21Å | 1.23Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| CL | C11 | sing | 1.74Å | 1.74Å | |
| C16 | N2 | sing | 1.35Å | 1.34Å | |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | N2 | sing | 1.47Å | 1.46Å | |
| C14 | O1 | sing | 1.43Å | 1.45Å | |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C1 | sing | 1.51Å | 1.52Å | |
| C9 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.53Å | 1.54Å | |
| C13 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | O1 | sing | 1.36Å | 1.38Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| N | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | N1 | C4 | 117.3° | 121.8° |
| N1 | C5 | C6 | 123.6° | 120.9° |
| N1 | C5 | H2 | 118.2° | 119.5° |
| N1 | C4 | C3 | 123.7° | 120.6° |
| N1 | C4 | H1 | 118.1° | 119.7° |
| C5 | C6 | C7 | 119.6° | 119.2° |
| C6 | C5 | H2 | 118.2° | 119.6° |
| C5 | C6 | H3 | 120.2° | 120.4° |
| C4 | C3 | C7 | 118.1° | 119.0° |
| C4 | C3 | N | 118.5° | 120.5° |
| C3 | C4 | H1 | 118.2° | 119.7° |
| C6 | C7 | C3 | 117.4° | 118.4° |
| C6 | C7 | C8 | 119.6° | 120.8° |
| C7 | C6 | H3 | 120.2° | 120.4° |
| C7 | C3 | N | 121.8° | 120.5° |
| C3 | C7 | C8 | 122.2° | 120.8° |
| C3 | N | C2 | 132.6° | 120.0° |
| C3 | N | H18 | 113.7° | 120.0° |
| C7 | C8 | H4 | 109.5° | 109.5° |
| C7 | C8 | H5 | 109.5° | 109.5° |
| C7 | C8 | H6 | 109.5° | 109.5° |
| N | C2 | O | 123.1° | 120.0° |
| N | C2 | C1 | 115.6° | 120.0° |
| C2 | N | H18 | 113.7° | 120.0° |
| C16 | C15 | C14 | 84.9° | 89.0° |
| C15 | C16 | O2 | 135.6° | 135.6° |
| C15 | C16 | N2 | 92.6° | 88.9° |
| C16 | C15 | H8 | 115.2° | 113.3° |
| C16 | C15 | H9 | 115.2° | 113.3° |
| C15 | C14 | N2 | 87.6° | 83.9° |
| C15 | C14 | O1 | 109.2° | 114.1° |
| C14 | C15 | H8 | 115.2° | 113.3° |
| C14 | C15 | H9 | 115.2° | 113.3° |
| C15 | C14 | H12 | 113.7° | 114.1° |
| O2 | C16 | N2 | 131.8° | 135.6° |
| O | C2 | C1 | 121.3° | 120.0° |
| C2 | C1 | C9 | 112.4° | 109.5° |
| C2 | C1 | C | 122.9° | 109.5° |
| C2 | C1 | H14 | 100.2° | 109.4° |
| CL | C11 | C10 | 119.1° | 120.0° |
| CL | C11 | C12 | 119.1° | 120.0° |
| C16 | N2 | C14 | 94.4° | 98.2° |
| C16 | N2 | H11 | 132.8° | 130.9° |
| C10 | C11 | C12 | 121.8° | 120.0° |
| C11 | C10 | C9 | 119.6° | 120.1° |
| C11 | C10 | H7 | 120.2° | 120.0° |
| C11 | C12 | C13 | 118.2° | 120.0° |
| C11 | C12 | H13 | 120.9° | 120.0° |
| C10 | C9 | C1 | 120.8° | 120.0° |
| C10 | C9 | C17 | 119.1° | 120.1° |
| C9 | C10 | H7 | 120.2° | 119.9° |
| N2 | C14 | O1 | 112.9° | 114.2° |
| C14 | N2 | H11 | 132.8° | 130.9° |
| N2 | C14 | H12 | 114.9° | 114.1° |
| C14 | O1 | C13 | 116.4° | 117.0° |
| O1 | C14 | H12 | 115.2° | 113.3° |
| C12 | C13 | C17 | 120.9° | 119.9° |
| C12 | C13 | O1 | 121.0° | 120.1° |
| C13 | C12 | H13 | 120.9° | 120.0° |
| C1 | C9 | C17 | 120.0° | 119.9° |
| C9 | C1 | C | 115.5° | 109.5° |
| C9 | C1 | H14 | 100.2° | 109.5° |
| C9 | C17 | C13 | 120.3° | 120.0° |
| C9 | C17 | H10 | 119.9° | 120.0° |
| C | C1 | H14 | 100.1° | 109.5° |
| C1 | C | H15 | 109.5° | 109.5° |
| C1 | C | H16 | 109.4° | 109.4° |
| C1 | C | H17 | 109.5° | 109.5° |
| C17 | C13 | O1 | 118.1° | 120.1° |
| C13 | C17 | H10 | 119.9° | 120.0° |
| H4 | C8 | H5 | 109.4° | 109.4° |
| H4 | C8 | H6 | 109.5° | 109.5° |
| H5 | C8 | H6 | 109.5° | 109.4° |
| H8 | C15 | H9 | 109.5° | 112.7° |
| H15 | C | H16 | 109.5° | 109.5° |
| H15 | C | H17 | 109.4° | 109.5° |
| H16 | C | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C5 | C6 | H2 | 180.0° | 180.0° |
| C5 | N1 | C4 | C3 | 0.7° | 0.1° |
| N1 | C5 | C6 | C7 | 1.2° | 0.0° |
| C5 | N1 | C4 | H1 | 179.3° | 180.0° |
| N1 | C5 | C6 | H3 | 178.8° | 180.0° |
| C4 | N1 | C5 | C6 | 2.4° | 0.0° |
| N1 | C4 | C3 | H1 | 180.0° | 179.9° |
| N1 | C4 | C3 | C7 | 4.9° | 0.1° |
| N1 | C4 | C3 | N | 160.8° | 179.9° |
| C4 | N1 | C5 | H2 | 177.6° | 180.0° |
| C5 | C6 | C7 | H3 | 180.0° | 180.0° |
| C5 | C6 | C7 | C3 | 3.0° | 0.0° |
| C5 | C6 | C7 | C8 | 166.8° | 180.0° |
| C4 | C3 | C7 | C6 | 5.8° | 0.1° |
| C4 | C3 | C7 | N | 165.2° | 179.9° |
| C4 | C3 | C7 | C8 | 163.8° | 179.9° |
| C4 | C3 | N | C2 | 145.5° | 34.5° |
| C4 | C3 | N | H18 | 34.5° | 145.5° |
| C6 | C7 | C3 | C8 | 169.6° | 180.0° |
| C6 | C7 | C3 | N | 159.4° | 180.0° |
| C7 | C6 | C5 | H2 | 178.8° | 180.0° |
| C6 | C7 | C8 | H4 | 85.0° | 90.0° |
| C6 | C7 | C8 | H5 | 155.1° | 150.0° |
| C6 | C7 | C8 | H6 | 35.0° | 30.0° |
| C7 | C3 | N | C2 | 19.6° | 145.4° |
| C7 | C3 | C4 | H1 | 175.1° | 180.0° |
| C3 | C7 | C6 | H3 | 177.0° | 180.0° |
| C3 | C7 | C8 | H4 | 84.4° | 90.0° |
| C3 | C7 | C8 | H5 | 35.6° | 30.0° |
| C3 | C7 | C8 | H6 | 155.6° | 150.0° |
| C7 | C3 | N | H18 | 160.4° | 34.6° |
| N | C3 | C7 | C8 | 31.0° | 0.0° |
| C3 | N | C2 | H18 | 180.0° | 180.0° |
| C3 | N | C2 | O | 37.8° | 4.4° |
| C3 | N | C2 | C1 | 144.8° | 175.6° |
| N | C3 | C4 | H1 | 19.2° | 0.0° |
| C8 | C7 | C6 | H3 | 13.2° | 0.0° |
| C7 | C8 | H4 | H5 | 120.0° | 120.0° |
| C7 | C8 | H4 | H6 | 120.0° | 120.1° |
| C7 | C8 | H5 | H6 | 120.0° | 120.0° |
| N | C2 | O | C1 | 177.3° | 180.0° |
| N | C2 | C1 | C9 | 107.5° | 180.0° |
| N | C2 | C1 | C | 37.7° | 60.0° |
| N | C2 | C1 | H14 | 146.9° | 60.0° |
| C16 | C15 | C14 | H8 | 115.5° | 115.0° |
| C16 | C15 | C14 | H9 | 115.5° | 115.0° |
| C15 | C16 | O2 | N2 | 178.8° | 179.9° |
| C16 | C15 | C14 | N2 | 5.1° | 0.0° |
| C16 | C15 | C14 | O1 | 118.6° | 113.8° |
| C16 | C15 | H8 | H9 | 131.8° | 130.3° |
| C15 | C16 | N2 | H11 | 174.2° | 180.0° |
| C16 | C15 | C14 | H12 | 111.2° | 113.8° |
| C14 | C15 | C16 | O2 | 175.3° | 179.9° |
| C15 | C14 | N2 | O1 | 109.9° | 113.7° |
| C15 | C14 | N2 | H12 | 115.1° | 113.7° |
| C15 | C14 | O1 | H12 | 129.4° | 132.8° |
| C15 | C14 | O1 | C13 | 94.5° | 165.0° |
| C14 | C15 | H8 | H9 | 131.8° | 130.3° |
| C15 | C14 | N2 | H11 | 174.3° | 180.0° |
| O2 | C16 | N2 | C14 | 175.0° | 179.9° |
| O2 | C16 | C15 | H8 | 59.8° | 64.9° |
| O2 | C16 | C15 | H9 | 69.2° | 65.0° |
| O2 | C16 | N2 | H11 | 5.0° | 0.1° |
| O | C2 | C1 | C9 | 70.1° | 0.0° |
| O | C2 | C1 | C | 144.8° | 120.0° |
| O | C2 | C1 | H14 | 35.5° | 120.0° |
| O | C2 | N | H18 | 142.2° | 175.6° |
| C2 | C1 | C9 | C10 | 113.1° | 60.0° |
| C2 | C1 | C9 | C | 147.9° | 120.0° |
| C2 | C1 | C9 | H14 | 105.6° | 120.0° |
| C2 | C1 | C9 | C17 | 64.3° | 120.0° |
| C2 | C1 | C | H14 | 109.3° | 119.9° |
| C2 | C1 | C | H15 | 180.0° | 60.0° |
| C2 | C1 | C | H16 | 60.0° | 180.0° |
| C2 | C1 | C | H17 | 60.0° | 60.0° |
| C1 | C2 | N | H18 | 35.2° | 4.4° |
| CL | C11 | C10 | C12 | 179.3° | 180.0° |
| CL | C11 | C10 | C9 | 178.4° | 180.0° |
| CL | C11 | C12 | C13 | 179.1° | 179.4° |
| CL | C11 | C10 | H7 | 1.6° | 0.3° |
| CL | C11 | C12 | H13 | 0.9° | 0.3° |
| C16 | N2 | C14 | H11 | 180.0° | 179.9° |
| C16 | N2 | C14 | O1 | 115.6° | 113.7° |
| N2 | C16 | C15 | H8 | 121.0° | 115.0° |
| N2 | C16 | C15 | H9 | 110.0° | 115.1° |
| C16 | N2 | C14 | H12 | 109.4° | 113.7° |
| C11 | C10 | C9 | H7 | 180.0° | 179.7° |
| C10 | C11 | C12 | C13 | 0.2° | 0.6° |
| C11 | C10 | C9 | C1 | 175.8° | 179.7° |
| C11 | C10 | C9 | C17 | 1.6° | 0.3° |
| C10 | C11 | C12 | H13 | 179.8° | 179.7° |
| C12 | C11 | C10 | C9 | 0.8° | 0.0° |
| C11 | C12 | C13 | H13 | 180.0° | 179.1° |
| C11 | C12 | C13 | C17 | 0.3° | 0.8° |
| C11 | C12 | C13 | O1 | 179.5° | 179.1° |
| C12 | C11 | C10 | H7 | 179.1° | 179.7° |
| C10 | C9 | C1 | C17 | 177.4° | 180.0° |
| C10 | C9 | C1 | C | 34.8° | 60.0° |
| C10 | C9 | C17 | C13 | 1.8° | 0.1° |
| C10 | C9 | C17 | H10 | 178.2° | 179.4° |
| C10 | C9 | C1 | H14 | 141.3° | 180.0° |
| N2 | C14 | O1 | H12 | 134.8° | 133.0° |
| N2 | C14 | O1 | C13 | 169.7° | 100.8° |
| N2 | C14 | C15 | H8 | 120.6° | 115.0° |
| N2 | C14 | C15 | H9 | 110.4° | 115.1° |
| C14 | O1 | C13 | C12 | 126.4° | 0.1° |
| C14 | O1 | C13 | C17 | 53.3° | 180.0° |
| O1 | C14 | C15 | H8 | 125.9° | 131.2° |
| O1 | C14 | C15 | H9 | 3.1° | 1.3° |
| O1 | C14 | N2 | H11 | 64.4° | 66.3° |
| C12 | C13 | C17 | C9 | 1.1° | 0.5° |
| C12 | C13 | C17 | O1 | 179.7° | 179.9° |
| C12 | C13 | C17 | H10 | 178.9° | 180.0° |
| C9 | C1 | C | H14 | 106.5° | 120.1° |
| C1 | C9 | C17 | C13 | 175.7° | 180.0° |
| C1 | C9 | C10 | H7 | 4.2° | 0.0° |
| C1 | C9 | C17 | H10 | 4.3° | 0.5° |
| C9 | C1 | C | H15 | 35.8° | 60.0° |
| C9 | C1 | C | H16 | 155.8° | 60.0° |
| C9 | C1 | C | H17 | 84.2° | 180.0° |
| C17 | C9 | C1 | C | 147.8° | 120.0° |
| C9 | C17 | C13 | H10 | 180.0° | 179.5° |
| C9 | C17 | C13 | O1 | 178.7° | 179.4° |
| C17 | C9 | C10 | H7 | 178.4° | 180.0° |
| C17 | C9 | C1 | H14 | 41.3° | 0.0° |
| C1 | C | H15 | H16 | 120.0° | 120.0° |
| C1 | C | H15 | H17 | 120.0° | 120.0° |
| C1 | C | H16 | H17 | 120.0° | 120.0° |
| C17 | C13 | C12 | H13 | 179.7° | 180.0° |
| O1 | C13 | C17 | H10 | 1.4° | 0.1° |
| C13 | O1 | C14 | H12 | 34.9° | 32.2° |
| O1 | C13 | C12 | H13 | 0.6° | 0.0° |
| H2 | C5 | C6 | H3 | 1.2° | 0.0° |
| H4 | C8 | H5 | H6 | 120.0° | 120.0° |
| H8 | C15 | C14 | H12 | 4.3° | 1.3° |
| H9 | C15 | C14 | H12 | 133.3° | 131.2° |
| H11 | N2 | C14 | H12 | 70.6° | 66.3° |
| H14 | C1 | C | H15 | 70.7° | 179.9° |
| H14 | C1 | C | H16 | 49.3° | 60.1° |
| H14 | C1 | C | H17 | 169.3° | 59.9° |
| H15 | C | H16 | H17 | 120.0° | 120.0° |
