RL8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | sing | 1.46Å | 1.45Å | |
| N | C1 | sing | 1.35Å | 1.33Å | |
| C3 | C4 | doub | 1.36Å | 1.36Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.42Å | Aromatic |
| C1 | C2 | sing | 1.48Å | 1.50Å | |
| C1 | O | doub | 1.22Å | 1.23Å | |
| C2 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.42Å | Aromatic |
| C6 | N1 | sing | 1.31Å | 1.33Å | Aromatic |
| C5 | C17 | sing | 1.42Å | 1.42Å | Aromatic |
| N1 | C7 | doub | 1.32Å | 1.34Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.42Å | Aromatic |
| C17 | C8 | doub | 1.41Å | 1.43Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | N2 | sing | 1.40Å | 1.41Å | |
| N2 | C9 | sing | 1.35Å | 1.35Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C9 | O1 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | CL | sing | 1.74Å | 1.74Å | |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| N | H13 | sing | 0.97Å | 1.00Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | C1 | 121.9° | 120.0° |
| C | N | H13 | 119.0° | 120.0° |
| N | C | H14 | 109.5° | 109.4° |
| N | C | H15 | 109.5° | 109.5° |
| N | C | H16 | 109.4° | 109.4° |
| N | C1 | C2 | 116.9° | 120.0° |
| N | C1 | O | 122.1° | 120.0° |
| C1 | N | H13 | 119.1° | 120.0° |
| C4 | C3 | C2 | 120.9° | 120.9° |
| C3 | C4 | C5 | 120.8° | 119.9° |
| C3 | C4 | H1 | 119.6° | 120.0° |
| C4 | C3 | H11 | 119.6° | 119.6° |
| C3 | C2 | C1 | 119.9° | 119.8° |
| C3 | C2 | C18 | 119.8° | 120.5° |
| C2 | C3 | H11 | 119.6° | 119.5° |
| C4 | C5 | C6 | 123.2° | 121.7° |
| C4 | C5 | C17 | 119.0° | 119.6° |
| C5 | C4 | H1 | 119.6° | 120.1° |
| C2 | C1 | O | 120.9° | 120.0° |
| C1 | C2 | C18 | 120.2° | 119.8° |
| C2 | C18 | C17 | 121.0° | 119.3° |
| C2 | C18 | H12 | 119.5° | 120.3° |
| C5 | C6 | N1 | 124.3° | 120.3° |
| C6 | C5 | C17 | 117.8° | 118.7° |
| C5 | C6 | H2 | 117.9° | 119.9° |
| C6 | N1 | C7 | 117.5° | 122.9° |
| N1 | C6 | H2 | 117.8° | 119.8° |
| C5 | C17 | C18 | 118.4° | 119.8° |
| C5 | C17 | C8 | 117.8° | 118.2° |
| N1 | C7 | C8 | 124.8° | 121.5° |
| N1 | C7 | H3 | 117.6° | 119.2° |
| C18 | C17 | C8 | 123.7° | 122.0° |
| C17 | C18 | H12 | 119.5° | 120.4° |
| C17 | C8 | C7 | 117.7° | 118.4° |
| C17 | C8 | N2 | 118.7° | 120.8° |
| C7 | C8 | N2 | 123.4° | 120.8° |
| C8 | C7 | H3 | 117.6° | 119.2° |
| C8 | N2 | C9 | 127.8° | 120.0° |
| C8 | N2 | H10 | 116.1° | 120.0° |
| N2 | C9 | C10 | 114.4° | 120.0° |
| N2 | C9 | O1 | 123.6° | 120.0° |
| C9 | N2 | H10 | 116.1° | 120.0° |
| C10 | C9 | O1 | 122.0° | 120.0° |
| C9 | C10 | C11 | 113.2° | 109.5° |
| C9 | C10 | H4 | 108.6° | 109.5° |
| C9 | C10 | H5 | 108.5° | 109.4° |
| C10 | C11 | C16 | 120.2° | 120.0° |
| C10 | C11 | C12 | 120.9° | 120.0° |
| C11 | C10 | H4 | 108.5° | 109.5° |
| C11 | C10 | H5 | 108.5° | 109.5° |
| C16 | C11 | C12 | 118.8° | 120.0° |
| C11 | C16 | C15 | 119.7° | 120.0° |
| C11 | C16 | H9 | 120.1° | 120.0° |
| C11 | C12 | C13 | 120.8° | 120.0° |
| C11 | C12 | H8 | 119.6° | 120.0° |
| C16 | C15 | CL | 118.9° | 120.1° |
| C16 | C15 | C14 | 121.8° | 119.9° |
| C15 | C16 | H9 | 120.2° | 120.0° |
| C12 | C13 | C14 | 120.2° | 120.0° |
| C12 | C13 | H6 | 119.9° | 120.0° |
| C13 | C12 | H8 | 119.6° | 120.0° |
| CL | C15 | C14 | 119.3° | 120.0° |
| C15 | C14 | C13 | 118.6° | 120.0° |
| C15 | C14 | H7 | 120.7° | 120.0° |
| C14 | C13 | H6 | 119.9° | 120.0° |
| C13 | C14 | H7 | 120.7° | 120.0° |
| H4 | C10 | H5 | 109.5° | 109.5° |
| H14 | C | H15 | 109.5° | 109.5° |
| H14 | C | H16 | 109.4° | 109.5° |
| H15 | C | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | C1 | H13 | 180.0° | 179.9° |
| C | N | C1 | C2 | 159.4° | 180.0° |
| C | N | C1 | O | 17.1° | 0.1° |
| N | C | H14 | H15 | 120.0° | 120.0° |
| N | C | H14 | H16 | 120.0° | 119.9° |
| N | C | H15 | H16 | 120.0° | 120.0° |
| N | C1 | C2 | C3 | 21.0° | 0.1° |
| N | C1 | C2 | O | 176.5° | 179.9° |
| N | C1 | C2 | C18 | 155.1° | 180.0° |
| C1 | N | C | H14 | 180.0° | 60.1° |
| C1 | N | C | H15 | 60.0° | 59.9° |
| C1 | N | C | H16 | 60.0° | 180.0° |
| C4 | C3 | C2 | H11 | 180.0° | 179.9° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C4 | C3 | C2 | C1 | 174.3° | 180.0° |
| C4 | C3 | C2 | C18 | 1.8° | 0.1° |
| C3 | C4 | C5 | C6 | 177.1° | 179.9° |
| C3 | C4 | C5 | C17 | 1.3° | 0.1° |
| C2 | C3 | C4 | C5 | 0.2° | 0.1° |
| C3 | C2 | C1 | C18 | 176.1° | 179.9° |
| C3 | C2 | C1 | O | 162.5° | 180.0° |
| C3 | C2 | C18 | C17 | 1.7° | 0.1° |
| C2 | C3 | C4 | H1 | 179.8° | 180.0° |
| C3 | C2 | C18 | H12 | 178.2° | 180.0° |
| C4 | C5 | C6 | C17 | 178.4° | 180.0° |
| C4 | C5 | C6 | N1 | 178.2° | 180.0° |
| C4 | C5 | C17 | C18 | 1.2° | 0.1° |
| C4 | C5 | C17 | C8 | 179.9° | 180.0° |
| C4 | C5 | C6 | H2 | 1.8° | 0.1° |
| C5 | C4 | C3 | H11 | 179.8° | 180.0° |
| C1 | C2 | C18 | C17 | 174.3° | 180.0° |
| C1 | C2 | C3 | H11 | 5.6° | 0.1° |
| C1 | C2 | C18 | H12 | 5.7° | 0.1° |
| C2 | C1 | N | H13 | 20.6° | 0.1° |
| O | C1 | C2 | C18 | 21.4° | 0.1° |
| O | C1 | N | H13 | 163.0° | 180.0° |
| C2 | C18 | C17 | C5 | 0.2° | 0.1° |
| C2 | C18 | C17 | H12 | 180.0° | 179.9° |
| C2 | C18 | C17 | C8 | 178.3° | 180.0° |
| C18 | C2 | C3 | H11 | 178.3° | 180.0° |
| C5 | C6 | N1 | H2 | 180.0° | 180.0° |
| C5 | C6 | N1 | C7 | 1.0° | 0.0° |
| C6 | C5 | C17 | C18 | 177.2° | 179.9° |
| C6 | C5 | C17 | C8 | 1.4° | 0.0° |
| C6 | C5 | C4 | H1 | 2.9° | 0.1° |
| N1 | C6 | C5 | C17 | 0.1° | 0.0° |
| C6 | N1 | C7 | C8 | 0.3° | 0.1° |
| C6 | N1 | C7 | H3 | 179.7° | 180.0° |
| C5 | C17 | C18 | C8 | 178.5° | 179.9° |
| C5 | C17 | C8 | C7 | 2.0° | 0.0° |
| C5 | C17 | C8 | N2 | 173.0° | 180.0° |
| C17 | C5 | C4 | H1 | 178.7° | 180.0° |
| C17 | C5 | C6 | H2 | 179.8° | 180.0° |
| C5 | C17 | C18 | H12 | 179.7° | 180.0° |
| N1 | C7 | C8 | C17 | 1.2° | 0.1° |
| N1 | C7 | C8 | H3 | 180.0° | 179.9° |
| N1 | C7 | C8 | N2 | 173.5° | 180.0° |
| C7 | N1 | C6 | H2 | 178.9° | 179.9° |
| C18 | C17 | C8 | C7 | 176.5° | 179.9° |
| C18 | C17 | C8 | N2 | 8.5° | 0.0° |
| C17 | C8 | C7 | N2 | 174.7° | 179.9° |
| C17 | C8 | N2 | C9 | 98.5° | 155.2° |
| C17 | C8 | C7 | H3 | 178.8° | 180.0° |
| C17 | C8 | N2 | H10 | 81.5° | 24.9° |
| C8 | C17 | C18 | H12 | 1.7° | 0.1° |
| C7 | C8 | N2 | C9 | 76.2° | 24.7° |
| C7 | C8 | N2 | H10 | 103.8° | 155.2° |
| C8 | N2 | C9 | H10 | 180.0° | 179.9° |
| C8 | N2 | C9 | C10 | 175.4° | 174.4° |
| C8 | N2 | C9 | O1 | 4.1° | 5.6° |
| N2 | C8 | C7 | H3 | 6.5° | 0.1° |
| N2 | C9 | C10 | O1 | 179.6° | 179.9° |
| N2 | C9 | C10 | C11 | 162.8° | 180.0° |
| N2 | C9 | C10 | H4 | 76.6° | 60.0° |
| N2 | C9 | C10 | H5 | 42.3° | 60.1° |
| C9 | C10 | C11 | H4 | 120.6° | 120.1° |
| C9 | C10 | C11 | H5 | 120.5° | 119.9° |
| C9 | C10 | C11 | C16 | 88.5° | 90.0° |
| C9 | C10 | C11 | C12 | 87.4° | 90.1° |
| C9 | C10 | H4 | H5 | 118.3° | 120.0° |
| C10 | C9 | N2 | H10 | 4.6° | 5.5° |
| O1 | C9 | C10 | C11 | 16.8° | 0.0° |
| O1 | C9 | C10 | H4 | 103.8° | 120.0° |
| O1 | C9 | C10 | H5 | 137.3° | 120.0° |
| O1 | C9 | N2 | H10 | 175.8° | 174.5° |
| C10 | C11 | C16 | C12 | 176.0° | 180.0° |
| C10 | C11 | C16 | C15 | 173.1° | 179.8° |
| C10 | C11 | C12 | C13 | 174.5° | 179.9° |
| C11 | C10 | H4 | H5 | 118.3° | 120.0° |
| C10 | C11 | C12 | H8 | 5.5° | 0.1° |
| C10 | C11 | C16 | H9 | 6.9° | 0.3° |
| C11 | C16 | C15 | H9 | 180.0° | 179.9° |
| C16 | C11 | C12 | C13 | 1.4° | 0.1° |
| C11 | C16 | C15 | CL | 174.8° | 180.0° |
| C11 | C16 | C15 | C14 | 2.3° | 0.5° |
| C16 | C11 | C10 | H4 | 150.9° | 149.9° |
| C16 | C11 | C10 | H5 | 32.0° | 29.9° |
| C16 | C11 | C12 | H8 | 178.5° | 180.0° |
| C12 | C11 | C16 | C15 | 2.9° | 0.2° |
| C11 | C12 | C13 | H8 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.7° | 0.1° |
| C12 | C11 | C10 | H4 | 33.1° | 30.0° |
| C12 | C11 | C10 | H5 | 152.0° | 150.0° |
| C11 | C12 | C13 | H6 | 179.3° | 179.7° |
| C12 | C11 | C16 | H9 | 177.1° | 179.8° |
| C16 | C15 | CL | C14 | 177.2° | 179.5° |
| C16 | C15 | C14 | C13 | 0.2° | 0.5° |
| C16 | C15 | C14 | H7 | 179.8° | 179.5° |
| C12 | C13 | C14 | C15 | 1.3° | 0.2° |
| C12 | C13 | C14 | H6 | 180.0° | 179.8° |
| C12 | C13 | C14 | H7 | 178.7° | 179.8° |
| CL | C15 | C14 | C13 | 176.9° | 180.0° |
| CL | C15 | C14 | H7 | 3.1° | 0.0° |
| CL | C15 | C16 | H9 | 5.3° | 0.0° |
| C15 | C14 | C13 | H7 | 180.0° | 180.0° |
| C15 | C14 | C13 | H6 | 178.7° | 180.0° |
| C14 | C15 | C16 | H9 | 177.6° | 179.5° |
| C14 | C13 | C12 | H8 | 179.3° | 180.0° |
| H1 | C4 | C3 | H11 | 0.2° | 0.1° |
| H6 | C13 | C14 | H7 | 1.3° | 0.0° |
| H6 | C13 | C12 | H8 | 0.7° | 0.2° |
| H13 | N | C | H14 | 0.1° | 120.0° |
| H13 | N | C | H15 | 120.0° | 120.0° |
| H13 | N | C | H16 | 120.0° | 0.1° |
| H14 | C | H15 | H16 | 120.0° | 120.0° |
