L0F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | O1 | doub | 1.22Å | 1.21Å | |
| C20 | C2 | sing | 1.48Å | 1.50Å | |
| C2 | N3 | sing | 1.35Å | 1.36Å | |
| H26 | N3 | sing | 0.97Å | 1.00Å | |
| N3 | C4 | sing | 1.40Å | 1.37Å | |
| C9 | C4 | sing | 1.41Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.36Å | 1.36Å | Aromatic |
| C5 | H27 | sing | 1.08Å | 1.08Å | |
| C5 | N6 | sing | 1.36Å | 1.34Å | Aromatic |
| N8 | N6 | sing | 1.40Å | 1.35Å | Aromatic |
| N6 | H7 | sing | 0.97Å | 1.00Å | |
| C9 | N8 | doub | 1.32Å | 1.32Å | Aromatic |
| C10 | C9 | sing | 1.48Å | 1.44Å | Aromatic |
| N11 | C10 | doub | 1.31Å | 1.32Å | Aromatic |
| C10 | N18 | sing | 1.37Å | 1.35Å | Aromatic |
| C12 | N11 | sing | 1.36Å | 1.37Å | Aromatic |
| C13 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | C17 | sing | 1.41Å | 1.40Å | Aromatic |
| H28 | C13 | sing | 1.08Å | 1.08Å | |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| H29 | C14 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| H30 | C15 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | H31 | sing | 1.08Å | 1.08Å | |
| C17 | N18 | sing | 1.38Å | 1.36Å | Aromatic |
| N18 | H19 | sing | 0.97Å | 1.00Å | |
| C21 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C25 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.37Å | Aromatic |
| C21 | H32 | sing | 1.08Å | 1.08Å | |
| H33 | C22 | sing | 1.08Å | 1.08Å | |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| H34 | C23 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| H35 | C24 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | doub | 1.38Å | 1.37Å | Aromatic |
| C25 | H36 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | C20 | 120.7° | 120.0° |
| O1 | C2 | N3 | 122.2° | 120.0° |
| C20 | C2 | N3 | 117.1° | 120.0° |
| C2 | C20 | C21 | 120.9° | 120.2° |
| C2 | C20 | C25 | 120.0° | 120.2° |
| C2 | N3 | H26 | 116.8° | 120.0° |
| C2 | N3 | C4 | 126.4° | 120.0° |
| H26 | N3 | C4 | 116.8° | 120.0° |
| N3 | C4 | C9 | 124.6° | 126.1° |
| N3 | C4 | C5 | 130.0° | 126.2° |
| C9 | C4 | C5 | 105.4° | 107.7° |
| C4 | C9 | N8 | 111.2° | 108.0° |
| C4 | C9 | C10 | 129.9° | 126.0° |
| C4 | C5 | H27 | 126.6° | 126.0° |
| C4 | C5 | N6 | 106.8° | 107.9° |
| H27 | C5 | N6 | 126.6° | 126.1° |
| C5 | N6 | N8 | 111.5° | 108.1° |
| C5 | N6 | H7 | 124.2° | 125.9° |
| N8 | N6 | H7 | 124.2° | 125.9° |
| N6 | N8 | C9 | 105.0° | 108.3° |
| N8 | C9 | C10 | 118.9° | 126.0° |
| C9 | C10 | N11 | 125.9° | 125.1° |
| C9 | C10 | N18 | 124.7° | 125.1° |
| N11 | C10 | N18 | 109.4° | 109.7° |
| C10 | N11 | C12 | 107.7° | 109.6° |
| C10 | N18 | C17 | 109.4° | 107.2° |
| C10 | N18 | H19 | 125.3° | 126.4° |
| N11 | C12 | C13 | 131.8° | 133.3° |
| N11 | C12 | C17 | 108.6° | 107.2° |
| C13 | C12 | C17 | 119.7° | 119.5° |
| C12 | C13 | H28 | 120.0° | 120.2° |
| C12 | C13 | C14 | 120.1° | 119.7° |
| C12 | C17 | C16 | 119.5° | 119.9° |
| C12 | C17 | N18 | 105.0° | 106.2° |
| H28 | C13 | C14 | 120.0° | 120.1° |
| C13 | C14 | H29 | 119.9° | 119.8° |
| C13 | C14 | C15 | 120.2° | 120.5° |
| H29 | C14 | C15 | 119.9° | 119.7° |
| C14 | C15 | H30 | 119.8° | 119.8° |
| C14 | C15 | C16 | 120.4° | 120.5° |
| H30 | C15 | C16 | 119.8° | 119.8° |
| C15 | C16 | C17 | 120.1° | 119.8° |
| C15 | C16 | H31 | 119.9° | 120.0° |
| C17 | C16 | H31 | 119.9° | 120.1° |
| C16 | C17 | N18 | 135.5° | 133.9° |
| C17 | N18 | H19 | 125.3° | 126.4° |
| C21 | C20 | C25 | 119.0° | 119.7° |
| C20 | C21 | C22 | 120.1° | 119.9° |
| C20 | C21 | H32 | 119.9° | 120.0° |
| C20 | C25 | C24 | 120.2° | 119.9° |
| C20 | C25 | H36 | 119.9° | 120.1° |
| C22 | C21 | H32 | 120.0° | 120.1° |
| C21 | C22 | H33 | 119.9° | 119.9° |
| C21 | C22 | C23 | 120.1° | 120.1° |
| H33 | C22 | C23 | 120.0° | 120.0° |
| C22 | C23 | H34 | 119.9° | 119.8° |
| C22 | C23 | C24 | 120.3° | 120.3° |
| H34 | C23 | C24 | 119.8° | 119.9° |
| C23 | C24 | H35 | 119.9° | 119.9° |
| C23 | C24 | C25 | 120.2° | 120.1° |
| H35 | C24 | C25 | 119.9° | 119.9° |
| C24 | C25 | H36 | 119.9° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C20 | N3 | 179.9° | 179.7° |
| O1 | C2 | N3 | H26 | 172.9° | 180.0° |
| O1 | C2 | N3 | C4 | 7.1° | 0.0° |
| O1 | C2 | C20 | C21 | 175.5° | 0.0° |
| O1 | C2 | C20 | C25 | 4.5° | 179.7° |
| C20 | C2 | N3 | H26 | 7.2° | 0.3° |
| C20 | C2 | N3 | C4 | 172.8° | 179.7° |
| C2 | C20 | C21 | C25 | 179.9° | 179.8° |
| C2 | C20 | C21 | C22 | 180.0° | 180.0° |
| C2 | C20 | C21 | H32 | 0.0° | 0.0° |
| C2 | C20 | C25 | C24 | 179.9° | 179.7° |
| C2 | C20 | C25 | H36 | 0.1° | 0.3° |
| C2 | N3 | H26 | C4 | 180.0° | 180.0° |
| C2 | N3 | C4 | C9 | 144.4° | 179.7° |
| C2 | N3 | C4 | C5 | 35.4° | 0.0° |
| N3 | C2 | C20 | C21 | 4.5° | 179.7° |
| N3 | C2 | C20 | C25 | 175.4° | 0.5° |
| H26 | N3 | C4 | C9 | 35.6° | 0.3° |
| H26 | N3 | C4 | C5 | 144.6° | 180.0° |
| N3 | C4 | C9 | C5 | 179.8° | 179.8° |
| N3 | C4 | C5 | H27 | 0.1° | 0.0° |
| N3 | C4 | C5 | N6 | 179.9° | 180.0° |
| N3 | C4 | C9 | N8 | 180.0° | 179.8° |
| N3 | C4 | C9 | C10 | 0.3° | 0.0° |
| C9 | C4 | C5 | H27 | 179.9° | 179.8° |
| C9 | C4 | C5 | N6 | 0.1° | 0.2° |
| C4 | C9 | N8 | N6 | 0.2° | 0.5° |
| C4 | C9 | N8 | C10 | 179.8° | 179.8° |
| C4 | C9 | C10 | N11 | 17.8° | 0.3° |
| C4 | C9 | C10 | N18 | 162.4° | 180.0° |
| C4 | C5 | H27 | N6 | 180.0° | 180.0° |
| C4 | C5 | N6 | N8 | 0.0° | 0.1° |
| C4 | C5 | N6 | H7 | 180.0° | 180.0° |
| C5 | C4 | C9 | N8 | 0.2° | 0.4° |
| C5 | C4 | C9 | C10 | 179.9° | 179.8° |
| H27 | C5 | N6 | N8 | 180.0° | 180.0° |
| H27 | C5 | N6 | H7 | 0.0° | 0.0° |
| C5 | N6 | N8 | H7 | 180.0° | 179.9° |
| C5 | N6 | N8 | C9 | 0.1° | 0.3° |
| N6 | N8 | C9 | C10 | 179.9° | 179.7° |
| H7 | N6 | N8 | C9 | 179.9° | 179.7° |
| N8 | C9 | C10 | N11 | 162.5° | 179.5° |
| N8 | C9 | C10 | N18 | 17.3° | 0.3° |
| C9 | C10 | N11 | N18 | 179.8° | 179.8° |
| C9 | C10 | N11 | C12 | 180.0° | 180.0° |
| C9 | C10 | N18 | C17 | 179.8° | 179.9° |
| C9 | C10 | N18 | H19 | 0.1° | 0.0° |
| C10 | N11 | C12 | C13 | 179.9° | 180.0° |
| C10 | N11 | C12 | C17 | 0.3° | 0.0° |
| N11 | C10 | N18 | C17 | 0.0° | 0.4° |
| N11 | C10 | N18 | H19 | 180.0° | 179.8° |
| N18 | C10 | N11 | C12 | 0.2° | 0.2° |
| C10 | N18 | C17 | C12 | 0.2° | 0.4° |
| C10 | N18 | C17 | C16 | 180.0° | 179.9° |
| C10 | N18 | C17 | H19 | 180.0° | 179.9° |
| N11 | C12 | C13 | C17 | 179.8° | 180.0° |
| N11 | C12 | C13 | H28 | 0.1° | 0.1° |
| N11 | C12 | C13 | C14 | 179.9° | 180.0° |
| N11 | C12 | C17 | C16 | 179.8° | 180.0° |
| N11 | C12 | C17 | N18 | 0.3° | 0.2° |
| C12 | C13 | H28 | C14 | 180.0° | 179.9° |
| C12 | C13 | C14 | H29 | 179.9° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.0° |
| C13 | C12 | C17 | C16 | 0.0° | 0.0° |
| C13 | C12 | C17 | N18 | 179.9° | 179.8° |
| C17 | C12 | C13 | H28 | 179.8° | 180.0° |
| C17 | C12 | C13 | C14 | 0.2° | 0.0° |
| C12 | C17 | C16 | C15 | 0.2° | 0.1° |
| C12 | C17 | C16 | N18 | 179.9° | 179.7° |
| C12 | C17 | C16 | H31 | 179.8° | 180.0° |
| C12 | C17 | N18 | H19 | 179.9° | 179.8° |
| H28 | C13 | C14 | H29 | 0.1° | 0.1° |
| H28 | C13 | C14 | C15 | 179.9° | 180.0° |
| C13 | C14 | H29 | C15 | 180.0° | 179.9° |
| C13 | C14 | C15 | H30 | 179.9° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| H29 | C14 | C15 | H30 | 0.2° | 0.0° |
| H29 | C14 | C15 | C16 | 179.9° | 179.9° |
| C14 | C15 | H30 | C16 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.3° | 0.0° |
| C14 | C15 | C16 | H31 | 179.8° | 180.0° |
| H30 | C15 | C16 | C17 | 179.7° | 180.0° |
| H30 | C15 | C16 | H31 | 0.3° | 0.0° |
| C15 | C16 | C17 | H31 | 180.0° | 180.0° |
| C15 | C16 | C17 | N18 | 179.7° | 179.7° |
| C16 | C17 | N18 | H19 | 0.0° | 0.0° |
| H31 | C16 | C17 | N18 | 0.3° | 0.3° |
| C20 | C21 | C22 | H32 | 180.0° | 180.0° |
| C20 | C21 | C22 | H33 | 179.9° | 180.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C21 | C20 | C25 | C24 | 0.0° | 0.5° |
| C21 | C20 | C25 | H36 | 180.0° | 179.9° |
| C25 | C20 | C21 | C22 | 0.0° | 0.2° |
| C25 | C20 | C21 | H32 | 180.0° | 179.8° |
| C20 | C25 | C24 | C23 | 0.0° | 0.6° |
| C20 | C25 | C24 | H35 | 180.0° | 179.7° |
| C20 | C25 | C24 | H36 | 180.0° | 179.4° |
| C21 | C22 | H33 | C23 | 180.0° | 180.0° |
| C21 | C22 | C23 | H34 | 179.9° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.0° |
| H32 | C21 | C22 | H33 | 0.1° | 0.0° |
| H32 | C21 | C22 | C23 | 179.9° | 180.0° |
| H33 | C22 | C23 | H34 | 0.1° | 0.0° |
| H33 | C22 | C23 | C24 | 179.9° | 180.0° |
| C22 | C23 | H34 | C24 | 180.0° | 180.0° |
| C22 | C23 | C24 | H35 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.1° | 0.3° |
| H34 | C23 | C24 | H35 | 0.1° | 0.0° |
| H34 | C23 | C24 | C25 | 179.9° | 179.7° |
| C23 | C24 | H35 | C25 | 180.0° | 179.7° |
| C23 | C24 | C25 | H36 | 180.0° | 180.0° |
| H35 | C24 | C25 | H36 | 0.0° | 0.3° |
