H8L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.37Å | Aromatic |
| C8 | CE | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| CE | NZ | sing | 1.39Å | 1.40Å | |
| CE | CD | doub | 1.40Å | 1.38Å | Aromatic |
| C11 | CD | sing | 1.40Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.53Å | 1.51Å | |
| C15 | O1 | sing | 1.45Å | 1.42Å | |
| NZ | O5 | sing | 1.42Å | 1.39Å | |
| CD | CG | sing | 1.48Å | 1.44Å | |
| O4 | C14 | doub | 1.21Å | 1.22Å | |
| O1 | C14 | sing | 1.35Å | 1.36Å | |
| C14 | C4 | sing | 1.47Å | 1.46Å | |
| C18 | C20 | sing | 1.53Å | 1.51Å | |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| O2 | C16 | sing | 1.35Å | 1.36Å | |
| O2 | C17 | sing | 1.45Å | 1.42Å | |
| CG | C4 | doub | 1.41Å | 1.38Å | Aromatic |
| CG | CB | sing | 1.41Å | 1.37Å | Aromatic |
| C16 | O3 | doub | 1.21Å | 1.22Å | |
| C16 | CB | sing | 1.47Å | 1.46Å | |
| C4 | C5 | sing | 1.40Å | 1.37Å | Aromatic |
| CB | CA | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C13 | sing | 1.51Å | 1.49Å | |
| C5 | N | doub | 1.32Å | 1.33Å | Aromatic |
| CA | N | sing | 1.32Å | 1.33Å | Aromatic |
| CA | C | sing | 1.51Å | 1.49Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| NZ | H17 | sing | 0.97Å | 1.00Å | |
| C11 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.08Å | 1.08Å | |
| O5 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C9 | C10 | 119.6° | 120.4° |
| C9 | C8 | CE | 121.3° | 120.0° |
| C9 | C8 | H1 | 119.4° | 120.0° |
| C8 | C9 | H23 | 120.2° | 119.8° |
| C9 | C10 | C11 | 119.4° | 120.3° |
| C9 | C10 | H2 | 120.3° | 119.9° |
| C10 | C9 | H23 | 120.2° | 119.8° |
| C8 | CE | NZ | 119.2° | 120.1° |
| C8 | CE | CD | 119.2° | 119.7° |
| CE | C8 | H1 | 119.3° | 120.0° |
| C10 | C11 | CD | 121.3° | 119.9° |
| C11 | C10 | H2 | 120.3° | 119.8° |
| C10 | C11 | H18 | 119.3° | 120.0° |
| NZ | CE | CD | 121.6° | 120.2° |
| CE | NZ | O5 | 116.5° | 120.0° |
| CE | NZ | H17 | 107.7° | 120.0° |
| CE | CD | C11 | 119.2° | 119.6° |
| CE | CD | CG | 121.2° | 120.2° |
| C11 | CD | CG | 119.6° | 120.2° |
| CD | C11 | H18 | 119.4° | 120.0° |
| C19 | C18 | C20 | 110.2° | 109.4° |
| C19 | C18 | C17 | 109.9° | 109.5° |
| C19 | C18 | H19 | 109.1° | 109.4° |
| C18 | C19 | H20 | 109.5° | 109.4° |
| C18 | C19 | H21 | 109.5° | 109.4° |
| C18 | C19 | H22 | 109.5° | 109.5° |
| C15 | O1 | C14 | 109.7° | 117.0° |
| O1 | C15 | H6 | 109.5° | 109.5° |
| O1 | C15 | H7 | 109.5° | 109.5° |
| O1 | C15 | H8 | 109.5° | 109.5° |
| O5 | NZ | H17 | 107.7° | 120.0° |
| NZ | O5 | H24 | 109.5° | 114.0° |
| CD | CG | C4 | 121.5° | 121.1° |
| CD | CG | CB | 123.3° | 121.1° |
| O4 | C14 | O1 | 127.6° | 120.0° |
| O4 | C14 | C4 | 125.2° | 120.0° |
| O1 | C14 | C4 | 107.2° | 120.0° |
| C14 | C4 | CG | 120.3° | 120.6° |
| C14 | C4 | C5 | 118.6° | 120.6° |
| C20 | C18 | C17 | 109.4° | 109.5° |
| C18 | C20 | H11 | 109.5° | 109.5° |
| C18 | C20 | H12 | 109.5° | 109.5° |
| C18 | C20 | H13 | 109.5° | 109.5° |
| C20 | C18 | H19 | 109.1° | 109.5° |
| C18 | C17 | O2 | 109.9° | 109.5° |
| C18 | C17 | H9 | 109.4° | 109.5° |
| C18 | C17 | H10 | 109.4° | 109.5° |
| C17 | C18 | H19 | 109.1° | 109.5° |
| C16 | O2 | C17 | 110.1° | 117.0° |
| O2 | C16 | O3 | 128.0° | 120.0° |
| O2 | C16 | CB | 108.1° | 120.0° |
| O2 | C17 | H9 | 109.4° | 109.5° |
| O2 | C17 | H10 | 109.3° | 109.4° |
| C4 | CG | CB | 115.3° | 117.8° |
| CG | C4 | C5 | 121.1° | 118.9° |
| CG | CB | C16 | 118.9° | 120.6° |
| CG | CB | CA | 121.2° | 118.8° |
| O3 | C16 | CB | 123.9° | 120.0° |
| C16 | CB | CA | 120.0° | 120.6° |
| C4 | C5 | C13 | 119.7° | 119.5° |
| C4 | C5 | N | 123.1° | 121.0° |
| CB | CA | N | 122.9° | 121.0° |
| CB | CA | C | 121.4° | 119.5° |
| C13 | C5 | N | 117.2° | 119.5° |
| C5 | C13 | H3 | 109.5° | 109.5° |
| C5 | C13 | H4 | 109.4° | 109.5° |
| C5 | C13 | H5 | 109.5° | 109.5° |
| C5 | N | CA | 116.4° | 122.4° |
| N | CA | C | 115.7° | 119.5° |
| CA | C | H14 | 109.5° | 109.5° |
| CA | C | H15 | 109.5° | 109.5° |
| CA | C | H16 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.4° |
| H3 | C13 | H5 | 109.5° | 109.4° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H6 | C15 | H7 | 109.4° | 109.4° |
| H6 | C15 | H8 | 109.5° | 109.5° |
| H7 | C15 | H8 | 109.5° | 109.4° |
| H9 | C17 | H10 | 109.5° | 109.4° |
| H11 | C20 | H12 | 109.5° | 109.4° |
| H11 | C20 | H13 | 109.5° | 109.4° |
| H12 | C20 | H13 | 109.5° | 109.5° |
| H14 | C | H15 | 109.5° | 109.4° |
| H14 | C | H16 | 109.4° | 109.5° |
| H15 | C | H16 | 109.4° | 109.5° |
| H20 | C19 | H21 | 109.5° | 109.5° |
| H20 | C19 | H22 | 109.5° | 109.5° |
| H21 | C19 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C9 | C10 | H23 | 180.0° | 180.0° |
| C9 | C8 | CE | H1 | 180.0° | 179.8° |
| C8 | C9 | C10 | C11 | 0.1° | 0.0° |
| C9 | C8 | CE | NZ | 180.0° | 179.7° |
| C9 | C8 | CE | CD | 0.2° | 0.2° |
| C8 | C9 | C10 | H2 | 179.9° | 179.8° |
| C10 | C9 | C8 | CE | 0.2° | 0.0° |
| C9 | C10 | C11 | H2 | 180.0° | 179.8° |
| C9 | C10 | C11 | CD | 0.5° | 0.2° |
| C10 | C9 | C8 | H1 | 179.8° | 179.7° |
| C9 | C10 | C11 | H18 | 179.5° | 179.7° |
| C8 | CE | NZ | CD | 179.8° | 179.9° |
| C8 | CE | CD | C11 | 0.1° | 0.4° |
| C8 | CE | NZ | O5 | 116.1° | 0.0° |
| C8 | CE | CD | CG | 179.9° | 180.0° |
| C8 | CE | NZ | H17 | 4.9° | 180.0° |
| CE | C8 | C9 | H23 | 179.8° | 180.0° |
| C10 | C11 | CD | CE | 0.5° | 0.4° |
| C10 | C11 | CD | H18 | 180.0° | 179.9° |
| C10 | C11 | CD | CG | 179.6° | 180.0° |
| C11 | C10 | C9 | H23 | 179.9° | 180.0° |
| NZ | CE | CD | C11 | 179.7° | 179.5° |
| CE | NZ | O5 | H17 | 121.0° | 180.0° |
| NZ | CE | CD | CG | 0.3° | 0.1° |
| NZ | CE | C8 | H1 | 0.0° | 0.0° |
| CE | NZ | O5 | H24 | 4.7° | 180.0° |
| CE | CD | C11 | CG | 180.0° | 179.6° |
| CD | CE | NZ | O5 | 64.1° | 180.0° |
| CE | CD | CG | C4 | 90.9° | 90.0° |
| CE | CD | CG | CB | 89.0° | 90.0° |
| CD | CE | C8 | H1 | 179.8° | 180.0° |
| CD | CE | NZ | H17 | 174.8° | 0.0° |
| CE | CD | C11 | H18 | 179.5° | 179.5° |
| C11 | CD | CG | C4 | 89.1° | 90.4° |
| C11 | CD | CG | CB | 91.0° | 89.5° |
| CD | C11 | C10 | H2 | 179.6° | 180.0° |
| C19 | C18 | C20 | C17 | 120.9° | 120.0° |
| C19 | C18 | C20 | H19 | 119.8° | 120.0° |
| C19 | C18 | C17 | H19 | 119.6° | 120.0° |
| C19 | C18 | C17 | O2 | 48.4° | 175.0° |
| C19 | C18 | C17 | H9 | 71.7° | 55.0° |
| C19 | C18 | C17 | H10 | 168.4° | 65.0° |
| C19 | C18 | C20 | H11 | 180.0° | 60.0° |
| C19 | C18 | C20 | H12 | 60.0° | 180.0° |
| C19 | C18 | C20 | H13 | 60.0° | 60.0° |
| C18 | C19 | H20 | H21 | 120.0° | 119.9° |
| C18 | C19 | H20 | H22 | 120.0° | 120.1° |
| C18 | C19 | H21 | H22 | 120.0° | 120.0° |
| C15 | O1 | C14 | O4 | 41.2° | 0.0° |
| C15 | O1 | C14 | C4 | 139.7° | 180.0° |
| O1 | C15 | H6 | H7 | 120.0° | 120.0° |
| O1 | C15 | H6 | H8 | 120.0° | 120.0° |
| O1 | C15 | H7 | H8 | 120.0° | 120.0° |
| CD | CG | C4 | C14 | 0.1° | 0.3° |
| CD | CG | C4 | CB | 180.0° | 180.0° |
| CD | CG | CB | C16 | 0.5° | 0.0° |
| CD | CG | C4 | C5 | 179.8° | 179.9° |
| CD | CG | CB | CA | 179.8° | 180.0° |
| CG | CD | C11 | H18 | 0.4° | 0.1° |
| O4 | C14 | O1 | C4 | 179.1° | 180.0° |
| O4 | C14 | C4 | CG | 87.0° | 90.3° |
| O4 | C14 | C4 | C5 | 92.9° | 90.1° |
| O1 | C14 | C4 | CG | 93.8° | 89.7° |
| O1 | C14 | C4 | C5 | 86.3° | 90.0° |
| C14 | O1 | C15 | H6 | 180.0° | 180.0° |
| C14 | O1 | C15 | H7 | 60.0° | 60.0° |
| C14 | O1 | C15 | H8 | 60.0° | 60.0° |
| C14 | C4 | CG | C5 | 179.9° | 179.6° |
| C14 | C4 | CG | CB | 180.0° | 179.7° |
| C14 | C4 | C5 | C13 | 0.2° | 0.3° |
| C14 | C4 | C5 | N | 179.8° | 179.7° |
| C20 | C18 | C17 | H19 | 119.3° | 120.0° |
| C20 | C18 | C17 | O2 | 169.5° | 65.0° |
| C20 | C18 | C17 | H9 | 49.4° | 174.9° |
| C20 | C18 | C17 | H10 | 70.5° | 55.0° |
| C18 | C20 | H11 | H12 | 120.0° | 120.0° |
| C18 | C20 | H11 | H13 | 120.0° | 120.0° |
| C18 | C20 | H12 | H13 | 120.0° | 120.0° |
| C20 | C18 | C19 | H20 | 180.0° | 60.1° |
| C20 | C18 | C19 | H21 | 60.0° | 180.0° |
| C20 | C18 | C19 | H22 | 60.0° | 60.0° |
| C18 | C17 | O2 | C16 | 96.3° | 180.0° |
| C18 | C17 | O2 | H9 | 120.0° | 120.1° |
| C18 | C17 | O2 | H10 | 120.1° | 120.0° |
| C18 | C17 | H9 | H10 | 119.8° | 120.0° |
| C17 | C18 | C20 | H11 | 59.1° | 180.0° |
| C17 | C18 | C20 | H12 | 60.9° | 60.0° |
| C17 | C18 | C20 | H13 | 179.1° | 60.0° |
| C17 | C18 | C19 | H20 | 59.3° | 60.0° |
| C17 | C18 | C19 | H21 | 179.3° | 60.0° |
| C17 | C18 | C19 | H22 | 60.6° | 180.0° |
| O2 | C16 | CB | CG | 75.4° | 90.1° |
| O2 | C16 | O3 | CB | 178.0° | 179.9° |
| O2 | C16 | CB | CA | 105.3° | 90.0° |
| C16 | O2 | C17 | H9 | 143.7° | 59.9° |
| C16 | O2 | C17 | H10 | 23.8° | 60.0° |
| C17 | O2 | C16 | O3 | 61.0° | 0.1° |
| C17 | O2 | C16 | CB | 120.7° | 180.0° |
| O2 | C17 | H9 | H10 | 119.8° | 120.0° |
| O2 | C17 | C18 | H19 | 71.2° | 55.1° |
| C4 | CG | CB | C16 | 179.5° | 180.0° |
| C4 | CG | CB | CA | 0.2° | 0.0° |
| CG | C4 | C5 | C13 | 179.7° | 180.0° |
| CG | C4 | C5 | N | 0.3° | 0.1° |
| CG | CB | C16 | O3 | 103.0° | 90.0° |
| CG | CB | C16 | CA | 179.3° | 179.9° |
| CB | CG | C4 | C5 | 0.2° | 0.1° |
| CG | CB | CA | N | 0.6° | 0.0° |
| CG | CB | CA | C | 179.9° | 180.0° |
| O3 | C16 | CB | CA | 76.3° | 89.9° |
| C16 | CB | CA | N | 179.8° | 180.0° |
| C16 | CB | CA | C | 0.7° | 0.0° |
| C4 | C5 | C13 | N | 180.0° | 179.9° |
| C4 | C5 | N | CA | 0.0° | 0.1° |
| C4 | C5 | C13 | H3 | 180.0° | 90.1° |
| C4 | C5 | C13 | H4 | 60.0° | 150.0° |
| C4 | C5 | C13 | H5 | 60.0° | 29.9° |
| CB | CA | N | C5 | 0.4° | 0.1° |
| CB | CA | N | C | 179.5° | 180.0° |
| CB | CA | C | H14 | 179.6° | 90.0° |
| CB | CA | C | H15 | 59.5° | 30.0° |
| CB | CA | C | H16 | 60.5° | 150.0° |
| C13 | C5 | N | CA | 180.0° | 180.0° |
| C5 | C13 | H3 | H4 | 120.0° | 120.0° |
| C5 | C13 | H3 | H5 | 120.0° | 120.0° |
| C5 | C13 | H4 | H5 | 120.0° | 120.1° |
| C5 | N | CA | C | 179.9° | 180.0° |
| N | C5 | C13 | H3 | 0.0° | 90.0° |
| N | C5 | C13 | H4 | 120.0° | 30.0° |
| N | C5 | C13 | H5 | 120.0° | 150.0° |
| N | CA | C | H14 | 0.0° | 90.0° |
| N | CA | C | H15 | 120.0° | 150.0° |
| N | CA | C | H16 | 120.0° | 30.0° |
| CA | C | H14 | H15 | 120.0° | 120.0° |
| CA | C | H14 | H16 | 120.0° | 120.0° |
| CA | C | H15 | H16 | 120.0° | 120.0° |
| H1 | C8 | C9 | H23 | 0.2° | 0.2° |
| H2 | C10 | C11 | H18 | 0.5° | 0.1° |
| H2 | C10 | C9 | H23 | 0.1° | 0.2° |
| H3 | C13 | H4 | H5 | 120.0° | 119.9° |
| H6 | C15 | H7 | H8 | 120.0° | 120.0° |
| H9 | C17 | C18 | H19 | 168.7° | 65.0° |
| H10 | C17 | C18 | H19 | 48.8° | 175.0° |
| H11 | C20 | H12 | H13 | 120.0° | 119.9° |
| H11 | C20 | C18 | H19 | 60.2° | 59.9° |
| H12 | C20 | C18 | H19 | 179.8° | 60.0° |
| H13 | C20 | C18 | H19 | 59.8° | 180.0° |
| H14 | C | H15 | H16 | 120.0° | 120.0° |
| H17 | NZ | O5 | H24 | 125.7° | 0.0° |
| H19 | C18 | C19 | H20 | 60.3° | 180.0° |
| H19 | C18 | C19 | H21 | 59.7° | 60.0° |
| H19 | C18 | C19 | H22 | 179.7° | 60.0° |
| H20 | C19 | H21 | H22 | 120.0° | 120.0° |
