H4L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | C20 | sing | 1.43Å | 1.44Å | |
| N4 | C5 | doub | 1.31Å | 1.34Å | Aromatic |
| N4 | C3 | sing | 1.34Å | 1.35Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C20 | C5 | sing | 1.51Å | 1.46Å | |
| C5 | N1 | sing | 1.35Å | 1.33Å | Aromatic |
| C3 | C2 | doub | 1.35Å | 1.36Å | Aromatic |
| N1 | C2 | sing | 1.37Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.47Å | 1.46Å | |
| C6 | C7 | sing | 1.51Å | 1.53Å | |
| C7 | N8 | doub | 1.30Å | 1.36Å | Aromatic |
| C7 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
| N8 | O9 | sing | 1.21Å | 1.36Å | Aromatic |
| C11 | C10 | doub | 1.37Å | 1.37Å | Aromatic |
| O9 | C10 | sing | 1.35Å | 1.36Å | Aromatic |
| C10 | C12 | sing | 1.43Å | 1.38Å | |
| C12 | C13 | trip | 1.17Å | 1.20Å | |
| C13 | C14 | sing | 1.43Å | 1.31Å | |
| C19 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.42Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.42Å | Aromatic |
| C17 | C23 | sing | 1.51Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| O26 | C25 | sing | 1.43Å | 1.43Å | |
| C16 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| O26 | H3 | sing | 0.97Å | 0.95Å | |
| C25 | H4 | sing | 1.09Å | 1.10Å | |
| C25 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| O22 | H16 | sing | 0.97Å | 0.95Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.08Å | 1.08Å | |
| C2 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | C20 | C21 | 112.3° | 109.5° |
| O22 | C20 | C5 | 107.2° | 109.5° |
| O22 | C20 | H15 | 109.8° | 109.5° |
| C20 | O22 | H16 | 109.5° | 114.0° |
| C5 | N4 | C3 | 107.0° | 109.2° |
| N4 | C5 | C20 | 123.0° | 125.6° |
| N4 | C5 | N1 | 110.0° | 108.7° |
| N4 | C3 | C2 | 107.3° | 108.1° |
| N4 | C3 | H20 | 126.4° | 125.9° |
| C21 | C20 | C5 | 109.3° | 109.5° |
| C21 | C20 | H15 | 108.7° | 109.4° |
| C20 | C21 | H17 | 109.5° | 109.5° |
| C20 | C21 | H18 | 109.5° | 109.5° |
| C20 | C21 | H19 | 109.5° | 109.5° |
| C20 | C5 | N1 | 127.0° | 125.7° |
| C5 | C20 | H15 | 109.5° | 109.5° |
| C5 | N1 | C2 | 107.0° | 107.2° |
| C5 | N1 | C6 | 129.8° | 126.4° |
| C3 | C2 | N1 | 108.7° | 106.8° |
| C2 | C3 | H20 | 126.3° | 126.0° |
| C3 | C2 | H21 | 125.7° | 126.6° |
| C2 | N1 | C6 | 123.2° | 126.4° |
| N1 | C2 | H21 | 125.6° | 126.6° |
| N1 | C6 | C7 | 114.8° | 109.4° |
| N1 | C6 | H13 | 108.1° | 109.5° |
| N1 | C6 | H14 | 108.1° | 109.5° |
| C6 | C7 | N8 | 123.8° | 126.7° |
| C6 | C7 | C11 | 128.6° | 126.7° |
| C7 | C6 | H13 | 108.1° | 109.5° |
| C7 | C6 | H14 | 108.1° | 109.5° |
| N8 | C7 | C11 | 107.6° | 106.6° |
| C7 | N8 | O9 | 108.1° | 112.1° |
| C7 | C11 | C10 | 107.1° | 103.9° |
| C7 | C11 | H2 | 126.5° | 128.0° |
| N8 | O9 | C10 | 109.2° | 111.4° |
| C11 | C10 | O9 | 108.1° | 106.0° |
| C11 | C10 | C12 | 126.4° | 127.0° |
| C10 | C11 | H2 | 126.5° | 128.1° |
| O9 | C10 | C12 | 125.5° | 127.0° |
| C10 | C12 | C13 | 177.1° | 180.0° |
| C12 | C13 | C14 | 175.5° | 180.0° |
| C13 | C14 | C19 | 118.2° | 120.2° |
| C13 | C14 | C15 | 124.7° | 120.2° |
| C14 | C19 | C18 | 122.0° | 119.9° |
| C19 | C14 | C15 | 117.1° | 119.7° |
| C14 | C19 | H12 | 119.0° | 120.0° |
| C19 | C18 | C17 | 121.5° | 120.1° |
| C19 | C18 | H11 | 119.2° | 119.9° |
| C18 | C19 | H12 | 119.0° | 120.1° |
| C14 | C15 | C16 | 121.1° | 119.8° |
| C14 | C15 | H10 | 119.4° | 120.1° |
| C18 | C17 | C16 | 118.3° | 120.4° |
| C18 | C17 | C23 | 115.1° | 119.8° |
| C17 | C18 | H11 | 119.3° | 119.9° |
| C15 | C16 | C17 | 120.0° | 120.2° |
| C15 | C16 | H1 | 120.0° | 119.9° |
| C16 | C15 | H10 | 119.5° | 120.1° |
| C16 | C17 | C23 | 126.6° | 119.8° |
| C17 | C16 | H1 | 120.0° | 119.9° |
| C17 | C23 | C24 | 114.3° | 109.5° |
| C17 | C23 | H8 | 108.3° | 109.5° |
| C17 | C23 | H9 | 108.3° | 109.5° |
| C23 | C24 | C25 | 114.4° | 109.5° |
| C23 | C24 | H6 | 108.2° | 109.5° |
| C23 | C24 | H7 | 108.2° | 109.5° |
| C24 | C23 | H8 | 108.3° | 109.4° |
| C24 | C23 | H9 | 108.3° | 109.5° |
| C24 | C25 | O26 | 111.8° | 109.4° |
| C24 | C25 | H4 | 108.9° | 109.4° |
| C24 | C25 | H5 | 108.9° | 109.5° |
| C25 | C24 | H6 | 108.2° | 109.5° |
| C25 | C24 | H7 | 108.2° | 109.5° |
| C25 | O26 | H3 | 109.5° | 113.9° |
| O26 | C25 | H4 | 108.9° | 109.5° |
| O26 | C25 | H5 | 108.9° | 109.5° |
| H4 | C25 | H5 | 109.4° | 109.5° |
| H6 | C24 | H7 | 109.5° | 109.4° |
| H8 | C23 | H9 | 109.4° | 109.5° |
| H13 | C6 | H14 | 109.5° | 109.5° |
| H17 | C21 | H18 | 109.5° | 109.4° |
| H17 | C21 | H19 | 109.4° | 109.4° |
| H18 | C21 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | C20 | C5 | N4 | 16.9° | 45.0° |
| O22 | C20 | C21 | C5 | 118.8° | 120.0° |
| O22 | C20 | C21 | H15 | 121.7° | 120.0° |
| O22 | C20 | C5 | H15 | 119.0° | 120.0° |
| O22 | C20 | C5 | N1 | 161.6° | 135.0° |
| O22 | C20 | C21 | H17 | 180.0° | 180.0° |
| O22 | C20 | C21 | H18 | 60.0° | 60.0° |
| O22 | C20 | C21 | H19 | 60.0° | 60.0° |
| N4 | C5 | C20 | C21 | 105.1° | 75.1° |
| N4 | C5 | C20 | N1 | 178.5° | 180.0° |
| C5 | N4 | C3 | C2 | 2.0° | 0.0° |
| N4 | C5 | N1 | C2 | 0.1° | 0.1° |
| N4 | C5 | N1 | C6 | 179.5° | 179.7° |
| N4 | C5 | C20 | H15 | 135.9° | 165.0° |
| C5 | N4 | C3 | H20 | 177.9° | 180.0° |
| C3 | N4 | C5 | C20 | 177.3° | 180.0° |
| C3 | N4 | C5 | N1 | 1.4° | 0.0° |
| N4 | C3 | C2 | H20 | 180.0° | 180.0° |
| N4 | C3 | C2 | N1 | 2.0° | 0.1° |
| N4 | C3 | C2 | H21 | 178.0° | 179.7° |
| C21 | C20 | C5 | H15 | 119.0° | 119.9° |
| C21 | C20 | C5 | N1 | 76.4° | 105.0° |
| C21 | C20 | O22 | H16 | 180.0° | 60.0° |
| C20 | C21 | H17 | H18 | 120.0° | 120.1° |
| C20 | C21 | H17 | H19 | 120.0° | 120.0° |
| C20 | C21 | H18 | H19 | 120.0° | 120.0° |
| C20 | C5 | N1 | C2 | 178.5° | 179.9° |
| C20 | C5 | N1 | C6 | 0.8° | 0.3° |
| C5 | C20 | O22 | H16 | 59.9° | 60.1° |
| C5 | C20 | C21 | H17 | 61.2° | 59.9° |
| C5 | C20 | C21 | H18 | 178.8° | 180.0° |
| C5 | C20 | C21 | H19 | 58.8° | 60.0° |
| C5 | N1 | C2 | C3 | 1.2° | 0.1° |
| C5 | N1 | C2 | C6 | 179.4° | 179.6° |
| C5 | N1 | C6 | C7 | 102.7° | 85.3° |
| C5 | N1 | C6 | H13 | 136.6° | 34.6° |
| C5 | N1 | C6 | H14 | 18.1° | 154.7° |
| N1 | C5 | C20 | H15 | 42.6° | 15.0° |
| C5 | N1 | C2 | H21 | 178.9° | 179.7° |
| C3 | C2 | N1 | H21 | 180.0° | 179.8° |
| C3 | C2 | N1 | C6 | 178.2° | 179.7° |
| C2 | N1 | C6 | C7 | 78.1° | 95.1° |
| C2 | N1 | C6 | H13 | 42.7° | 144.9° |
| C2 | N1 | C6 | H14 | 161.1° | 24.9° |
| N1 | C2 | C3 | H20 | 178.0° | 180.0° |
| N1 | C6 | C7 | H13 | 120.8° | 120.0° |
| N1 | C6 | C7 | H14 | 120.8° | 120.0° |
| N1 | C6 | C7 | N8 | 121.7° | 55.0° |
| N1 | C6 | C7 | C11 | 60.6° | 124.4° |
| N1 | C6 | H13 | H14 | 117.6° | 120.1° |
| C6 | N1 | C2 | H21 | 1.8° | 0.1° |
| C6 | C7 | N8 | C11 | 178.1° | 179.5° |
| C6 | C7 | N8 | O9 | 179.8° | 180.0° |
| C6 | C7 | C11 | C10 | 179.9° | 180.0° |
| C6 | C7 | C11 | H2 | 0.1° | 0.3° |
| C7 | C6 | H13 | H14 | 117.5° | 120.0° |
| N8 | C7 | C11 | C10 | 2.1° | 0.5° |
| C7 | N8 | O9 | C10 | 0.6° | 0.3° |
| N8 | C7 | C11 | H2 | 177.9° | 179.8° |
| N8 | C7 | C6 | H13 | 117.5° | 65.0° |
| N8 | C7 | C6 | H14 | 0.9° | 175.0° |
| C11 | C7 | N8 | O9 | 1.6° | 0.5° |
| C7 | C11 | C10 | H2 | 180.0° | 179.7° |
| C7 | C11 | C10 | O9 | 1.7° | 0.3° |
| C7 | C11 | C10 | C12 | 179.5° | 179.8° |
| C11 | C7 | C6 | H13 | 60.2° | 115.6° |
| C11 | C7 | C6 | H14 | 178.6° | 4.4° |
| N8 | O9 | C10 | C11 | 0.7° | 0.0° |
| N8 | O9 | C10 | C12 | 178.5° | 180.0° |
| C11 | C10 | O9 | C12 | 177.8° | 179.9° |
| C11 | C10 | C12 | C13 | 172.1° | 152.9° |
| O9 | C10 | C12 | C13 | 5.3° | 27.0° |
| O9 | C10 | C11 | H2 | 178.3° | 180.0° |
| C10 | C12 | C13 | C14 | 44.9° | 122.8° |
| C12 | C10 | C11 | H2 | 0.5° | 0.1° |
| C12 | C13 | C14 | C19 | 46.7° | 95.8° |
| C12 | C13 | C14 | C15 | 132.5° | 84.5° |
| C13 | C14 | C19 | C15 | 179.3° | 179.8° |
| C13 | C14 | C19 | C18 | 178.5° | 180.0° |
| C13 | C14 | C15 | C16 | 178.8° | 179.7° |
| C13 | C14 | C15 | H10 | 1.2° | 0.3° |
| C13 | C14 | C19 | H12 | 1.5° | 0.3° |
| C14 | C19 | C18 | H12 | 180.0° | 179.7° |
| C14 | C19 | C18 | C17 | 0.3° | 0.3° |
| C19 | C14 | C15 | C16 | 0.4° | 0.0° |
| C19 | C14 | C15 | H10 | 179.6° | 180.0° |
| C14 | C19 | C18 | H11 | 179.7° | 179.8° |
| C18 | C19 | C14 | C15 | 0.8° | 0.3° |
| C19 | C18 | C17 | H11 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.7° | 0.1° |
| C19 | C18 | C17 | C23 | 179.5° | 180.0° |
| C14 | C15 | C16 | H10 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.5° | 0.3° |
| C14 | C15 | C16 | H1 | 179.6° | 180.0° |
| C15 | C14 | C19 | H12 | 179.2° | 179.9° |
| C18 | C17 | C16 | C15 | 1.0° | 0.3° |
| C18 | C17 | C16 | C23 | 178.6° | 180.0° |
| C18 | C17 | C23 | C24 | 173.3° | 90.0° |
| C18 | C17 | C16 | H1 | 179.0° | 180.0° |
| C18 | C17 | C23 | H8 | 52.6° | 30.0° |
| C18 | C17 | C23 | H9 | 66.0° | 150.0° |
| C17 | C18 | C19 | H12 | 179.7° | 180.0° |
| C15 | C16 | C17 | H1 | 180.0° | 179.7° |
| C15 | C16 | C17 | C23 | 179.6° | 179.7° |
| C16 | C17 | C23 | C24 | 8.1° | 90.0° |
| C16 | C17 | C23 | H8 | 128.8° | 150.0° |
| C16 | C17 | C23 | H9 | 112.7° | 30.0° |
| C17 | C16 | C15 | H10 | 179.5° | 179.7° |
| C16 | C17 | C18 | H11 | 179.3° | 179.9° |
| C17 | C23 | C24 | H8 | 120.7° | 120.0° |
| C17 | C23 | C24 | H9 | 120.7° | 120.1° |
| C17 | C23 | C24 | C25 | 178.4° | 180.0° |
| C23 | C17 | C16 | H1 | 0.4° | 0.0° |
| C17 | C23 | C24 | H6 | 60.9° | 60.0° |
| C17 | C23 | C24 | H7 | 57.7° | 60.0° |
| C17 | C23 | H8 | H9 | 117.8° | 120.1° |
| C23 | C17 | C18 | H11 | 0.5° | 0.1° |
| C23 | C24 | C25 | H6 | 120.7° | 120.0° |
| C23 | C24 | C25 | H7 | 120.7° | 120.0° |
| C23 | C24 | C25 | O26 | 13.2° | 180.0° |
| C23 | C24 | C25 | H4 | 107.2° | 60.0° |
| C23 | C24 | C25 | H5 | 133.6° | 60.0° |
| C23 | C24 | H6 | H7 | 117.8° | 119.9° |
| C24 | C23 | H8 | H9 | 117.8° | 119.9° |
| C24 | C25 | O26 | H4 | 120.4° | 120.0° |
| C24 | C25 | O26 | H5 | 120.4° | 120.0° |
| C24 | C25 | O26 | H3 | 180.0° | 180.0° |
| C24 | C25 | H4 | H5 | 118.9° | 120.0° |
| C25 | C24 | H6 | H7 | 117.8° | 120.0° |
| C25 | C24 | C23 | H8 | 57.7° | 60.0° |
| C25 | C24 | C23 | H9 | 60.9° | 60.0° |
| O26 | C25 | H4 | H5 | 118.9° | 120.1° |
| O26 | C25 | C24 | H6 | 133.9° | 60.0° |
| O26 | C25 | C24 | H7 | 107.5° | 60.0° |
| H1 | C16 | C15 | H10 | 0.4° | 0.0° |
| H3 | O26 | C25 | H4 | 59.6° | 60.0° |
| H3 | O26 | C25 | H5 | 59.6° | 60.0° |
| H4 | C25 | C24 | H6 | 13.5° | 180.0° |
| H4 | C25 | C24 | H7 | 132.1° | 60.0° |
| H5 | C25 | C24 | H6 | 105.7° | 60.0° |
| H5 | C25 | C24 | H7 | 12.9° | 180.0° |
| H6 | C24 | C23 | H8 | 178.4° | 60.0° |
| H6 | C24 | C23 | H9 | 59.8° | 180.0° |
| H7 | C24 | C23 | H8 | 63.0° | 180.0° |
| H7 | C24 | C23 | H9 | 178.4° | 60.1° |
| H11 | C18 | C19 | H12 | 0.3° | 0.1° |
| H15 | C20 | O22 | H16 | 58.9° | 179.9° |
| H15 | C20 | C21 | H17 | 58.3° | 60.0° |
| H15 | C20 | C21 | H18 | 61.7° | 60.0° |
| H15 | C20 | C21 | H19 | 178.3° | 180.0° |
| H17 | C21 | H18 | H19 | 120.0° | 119.9° |
| H20 | C3 | C2 | H21 | 2.0° | 0.2° |
