G5L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | C18 | doub | 1.22Å | 1.40Å | |
| C1 | C2 | doub | 1.38Å | 1.53Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.31Å | Aromatic |
| O19 | C18 | sing | 1.35Å | 1.37Å | |
| O19 | C12 | sing | 1.35Å | 1.39Å | |
| C18 | C17 | sing | 1.47Å | 1.51Å | |
| C2 | C3 | sing | 1.38Å | 1.31Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.52Å | |
| C7 | N8 | sing | 1.46Å | 1.45Å | |
| C6 | C5 | doub | 1.38Å | 1.52Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.41Å | 1.40Å | Aromatic |
| O22 | C21 | doub | 1.22Å | 1.26Å | |
| C17 | C21 | sing | 1.47Å | 1.52Å | |
| C17 | C16 | doub | 1.39Å | 1.39Å | |
| C21 | O23 | sing | 1.35Å | 1.26Å | |
| C3 | C4 | doub | 1.38Å | 1.52Å | Aromatic |
| N8 | C10 | sing | 1.39Å | 1.45Å | |
| N8 | C9 | sing | 1.47Å | 1.45Å | |
| C10 | C15 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C16 | sing | 1.42Å | 1.41Å | |
| C13 | C14 | doub | 1.40Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.31Å | Aromatic |
| C15 | C14 | sing | 1.36Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| O23 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O20 | C18 | O19 | 120.4° | 121.1° |
| O20 | C18 | C17 | 120.2° | 121.0° |
| C2 | C1 | C6 | 119.7° | 119.9° |
| C1 | C2 | C3 | 120.1° | 120.1° |
| C2 | C1 | H1 | 120.1° | 120.0° |
| C1 | C2 | H2 | 120.0° | 119.9° |
| C1 | C6 | C7 | 120.6° | 120.0° |
| C1 | C6 | C5 | 120.3° | 120.0° |
| C6 | C1 | H1 | 120.2° | 120.0° |
| C18 | O19 | C12 | 119.3° | 116.3° |
| O19 | C18 | C17 | 119.5° | 117.9° |
| O19 | C12 | C11 | 118.7° | 120.2° |
| O19 | C12 | C13 | 122.4° | 120.3° |
| C18 | C17 | C21 | 120.0° | 121.4° |
| C18 | C17 | C16 | 119.1° | 117.3° |
| C2 | C3 | C4 | 120.1° | 120.0° |
| C3 | C2 | H2 | 120.0° | 120.0° |
| C2 | C3 | H3 | 119.9° | 120.0° |
| C6 | C7 | N8 | 108.1° | 109.5° |
| C7 | C6 | C5 | 119.1° | 120.0° |
| C6 | C7 | H10 | 109.8° | 109.5° |
| C6 | C7 | H11 | 109.8° | 109.4° |
| C7 | N8 | C10 | 121.7° | 120.0° |
| C7 | N8 | C9 | 119.1° | 120.0° |
| N8 | C7 | H10 | 109.8° | 109.5° |
| N8 | C7 | H11 | 109.8° | 109.5° |
| C6 | C5 | C4 | 120.0° | 120.0° |
| C6 | C5 | H5 | 120.0° | 120.1° |
| C12 | C11 | C10 | 119.6° | 119.8° |
| C11 | C12 | C13 | 118.9° | 119.5° |
| C12 | C11 | H6 | 120.2° | 120.1° |
| C11 | C10 | N8 | 119.8° | 119.8° |
| C11 | C10 | C15 | 121.0° | 120.4° |
| C10 | C11 | H6 | 120.2° | 120.0° |
| C12 | C13 | C16 | 120.3° | 119.8° |
| C12 | C13 | C14 | 121.0° | 119.8° |
| O22 | C21 | C17 | 119.5° | 120.0° |
| O22 | C21 | O23 | 120.3° | 120.0° |
| C21 | C17 | C16 | 121.0° | 121.3° |
| C17 | C21 | O23 | 120.1° | 120.0° |
| C17 | C16 | C13 | 119.4° | 117.9° |
| C17 | C16 | H9 | 120.3° | 121.1° |
| C21 | O23 | H15 | 109.5° | 117.0° |
| C3 | C4 | C5 | 120.0° | 120.0° |
| C4 | C3 | H3 | 120.0° | 120.0° |
| C3 | C4 | H4 | 120.0° | 120.0° |
| C10 | N8 | C9 | 119.1° | 120.0° |
| N8 | C10 | C15 | 119.2° | 119.8° |
| N8 | C9 | H12 | 109.5° | 109.5° |
| N8 | C9 | H13 | 109.5° | 109.5° |
| N8 | C9 | H14 | 109.5° | 109.5° |
| C10 | C15 | C14 | 119.3° | 120.5° |
| C10 | C15 | H8 | 120.4° | 119.8° |
| C16 | C13 | C14 | 118.7° | 120.4° |
| C13 | C16 | H9 | 120.3° | 121.0° |
| C13 | C14 | C15 | 120.2° | 119.9° |
| C13 | C14 | H7 | 119.9° | 120.0° |
| C5 | C4 | H4 | 120.0° | 120.0° |
| C4 | C5 | H5 | 120.0° | 119.9° |
| C15 | C14 | H7 | 119.9° | 120.1° |
| C14 | C15 | H8 | 120.3° | 119.8° |
| H10 | C7 | H11 | 109.5° | 109.4° |
| H12 | C9 | H13 | 109.5° | 109.4° |
| H12 | C9 | H14 | 109.5° | 109.5° |
| H13 | C9 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | C18 | O19 | C17 | 179.8° | 180.0° |
| O20 | C18 | O19 | C12 | 179.8° | 140.7° |
| O20 | C18 | C17 | C21 | 0.1° | 25.9° |
| O20 | C18 | C17 | C16 | 179.9° | 154.1° |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C2 | C1 | C6 | C7 | 179.6° | 180.0° |
| C2 | C1 | C6 | C5 | 0.7° | 0.1° |
| C1 | C2 | C3 | C4 | 0.0° | 0.1° |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.4° | 0.0° |
| C1 | C6 | C7 | C5 | 178.9° | 179.9° |
| C1 | C6 | C7 | N8 | 157.4° | 90.0° |
| C1 | C6 | C5 | C4 | 0.6° | 0.1° |
| C6 | C1 | C2 | H2 | 179.6° | 179.9° |
| C1 | C6 | C5 | H5 | 179.4° | 180.0° |
| C1 | C6 | C7 | H10 | 37.6° | 149.9° |
| C1 | C6 | C7 | H11 | 82.8° | 30.0° |
| C18 | O19 | C12 | C11 | 180.0° | 152.6° |
| C18 | O19 | C12 | C13 | 0.0° | 28.5° |
| O19 | C18 | C17 | C21 | 179.9° | 154.1° |
| O19 | C18 | C17 | C16 | 0.1° | 25.9° |
| C12 | O19 | C18 | C17 | 0.0° | 39.3° |
| O19 | C12 | C11 | C13 | 180.0° | 178.9° |
| O19 | C12 | C11 | C10 | 179.9° | 177.8° |
| O19 | C12 | C13 | C16 | 0.0° | 3.9° |
| O19 | C12 | C13 | C14 | 180.0° | 176.6° |
| O19 | C12 | C11 | H6 | 0.1° | 2.3° |
| C18 | C17 | C21 | O22 | 33.9° | 180.0° |
| C18 | C17 | C21 | C16 | 180.0° | 180.0° |
| C18 | C17 | C21 | O23 | 145.8° | 0.0° |
| C18 | C17 | C16 | C13 | 0.1° | 1.3° |
| C18 | C17 | C16 | H9 | 180.0° | 178.6° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.1° | 0.1° |
| C3 | C2 | C1 | H1 | 179.6° | 179.8° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| C6 | C7 | N8 | H10 | 119.8° | 120.0° |
| C6 | C7 | N8 | H11 | 119.8° | 120.0° |
| C6 | C7 | N8 | C10 | 76.8° | 90.0° |
| C6 | C7 | N8 | C9 | 101.7° | 90.0° |
| C7 | C6 | C5 | C4 | 179.5° | 180.0° |
| C7 | C6 | C1 | H1 | 0.4° | 0.3° |
| C7 | C6 | C5 | H5 | 0.5° | 0.0° |
| C6 | C7 | H10 | H11 | 120.6° | 119.9° |
| N8 | C7 | C6 | C5 | 21.5° | 90.1° |
| C7 | N8 | C10 | C11 | 16.4° | 179.7° |
| C7 | N8 | C10 | C9 | 178.5° | 179.9° |
| C7 | N8 | C10 | C15 | 164.4° | 0.1° |
| N8 | C7 | H10 | H11 | 120.6° | 120.0° |
| C7 | N8 | C9 | H12 | 180.0° | 90.0° |
| C7 | N8 | C9 | H13 | 60.0° | 150.1° |
| C7 | N8 | C9 | H14 | 60.0° | 30.0° |
| C6 | C5 | C4 | C3 | 0.2° | 0.0° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C5 | C6 | C1 | H1 | 179.3° | 179.7° |
| C6 | C5 | C4 | H4 | 179.9° | 179.9° |
| C5 | C6 | C7 | H10 | 141.3° | 30.0° |
| C5 | C6 | C7 | H11 | 98.3° | 149.9° |
| C12 | C11 | C10 | H6 | 180.0° | 180.0° |
| C12 | C11 | C10 | N8 | 179.5° | 179.5° |
| C12 | C11 | C10 | C15 | 0.3° | 0.3° |
| C11 | C12 | C13 | C16 | 180.0° | 177.2° |
| C11 | C12 | C13 | C14 | 0.1° | 2.2° |
| C10 | C11 | C12 | C13 | 0.1° | 1.1° |
| C11 | C10 | N8 | C15 | 179.2° | 179.8° |
| C11 | C10 | N8 | C9 | 162.1° | 0.2° |
| C11 | C10 | C15 | C14 | 0.3° | 0.6° |
| C11 | C10 | C15 | H8 | 179.7° | 179.4° |
| C12 | C13 | C16 | C17 | 0.1° | 9.3° |
| C12 | C13 | C16 | C14 | 179.9° | 179.4° |
| C12 | C13 | C14 | C15 | 0.1° | 1.9° |
| C13 | C12 | C11 | H6 | 179.9° | 178.9° |
| C12 | C13 | C14 | H7 | 179.9° | 178.1° |
| C12 | C13 | C16 | H9 | 180.0° | 170.8° |
| O22 | C21 | C17 | O23 | 179.7° | 180.0° |
| O22 | C21 | C17 | C16 | 146.1° | 0.0° |
| O22 | C21 | O23 | H15 | 0.0° | 0.0° |
| C21 | C17 | C16 | C13 | 179.9° | 178.6° |
| C21 | C17 | C16 | H9 | 0.1° | 1.5° |
| C17 | C21 | O23 | H15 | 179.7° | 180.0° |
| C16 | C17 | C21 | O23 | 34.2° | 180.0° |
| C17 | C16 | C13 | H9 | 180.0° | 179.9° |
| C17 | C16 | C13 | C14 | 180.0° | 170.1° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | H5 | 179.8° | 180.0° |
| N8 | C10 | C15 | C14 | 179.5° | 179.2° |
| N8 | C10 | C11 | H6 | 0.5° | 0.5° |
| N8 | C10 | C15 | H8 | 0.5° | 0.9° |
| C10 | N8 | C7 | H10 | 43.0° | 30.1° |
| C10 | N8 | C7 | H11 | 163.4° | 150.1° |
| C10 | N8 | C9 | H12 | 1.5° | 89.9° |
| C10 | N8 | C9 | H13 | 121.5° | 30.0° |
| C10 | N8 | C9 | H14 | 118.5° | 150.1° |
| C9 | N8 | C10 | C15 | 17.2° | 180.0° |
| C9 | N8 | C7 | H10 | 138.5° | 150.0° |
| C9 | N8 | C7 | H11 | 18.1° | 30.0° |
| N8 | C9 | H12 | H13 | 120.0° | 120.0° |
| N8 | C9 | H12 | H14 | 120.0° | 120.0° |
| N8 | C9 | H13 | H14 | 120.0° | 120.0° |
| C10 | C15 | C14 | C13 | 0.1° | 0.5° |
| C10 | C15 | C14 | H8 | 180.0° | 180.0° |
| C15 | C10 | C11 | H6 | 179.8° | 179.7° |
| C10 | C15 | C14 | H7 | 179.9° | 179.5° |
| C16 | C13 | C14 | C15 | 180.0° | 177.5° |
| C16 | C13 | C14 | H7 | 0.0° | 2.5° |
| C13 | C14 | C15 | H7 | 180.0° | 180.0° |
| C13 | C14 | C15 | H8 | 179.9° | 179.5° |
| C14 | C13 | C16 | H9 | 0.1° | 9.8° |
| C5 | C4 | C3 | H3 | 179.9° | 180.0° |
| H1 | C1 | C2 | H2 | 0.4° | 0.3° |
| H2 | C2 | C3 | H3 | 0.0° | 0.0° |
| H3 | C3 | C4 | H4 | 0.1° | 0.1° |
| H4 | C4 | C5 | H5 | 0.2° | 0.1° |
| H7 | C14 | C15 | H8 | 0.1° | 0.4° |
| H12 | C9 | H13 | H14 | 120.0° | 120.0° |
