FJH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.51Å | 1.50Å | |
| C2 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.37Å | 1.36Å | Aromatic |
| C1 | N2 | sing | 1.31Å | 1.33Å | Aromatic |
| C3 | C4 | doub | 1.41Å | 1.41Å | Aromatic |
| N2 | C26 | doub | 1.34Å | 1.37Å | Aromatic |
| C4 | C26 | sing | 1.42Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C26 | C25 | sing | 1.41Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.37Å | Aromatic |
| C25 | C24 | doub | 1.36Å | 1.36Å | Aromatic |
| C23 | C22 | sing | 1.51Å | 1.51Å | |
| C6 | C24 | sing | 1.41Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.49Å | |
| N | C8 | sing | 1.40Å | 1.41Å | |
| N | C7 | sing | 1.35Å | 1.35Å | |
| C22 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | O | doub | 1.21Å | 1.23Å | |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | N1 | sing | 1.40Å | 1.41Å | |
| N1 | C11 | sing | 1.35Å | 1.35Å | |
| C11 | O1 | doub | 1.22Å | 1.23Å | |
| C11 | C12 | sing | 1.48Å | 1.50Å | |
| C13 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | O2 | sing | 1.36Å | 1.37Å | |
| C18 | O3 | sing | 1.36Å | 1.37Å | |
| O2 | C16 | sing | 1.43Å | 1.43Å | |
| C16 | C17 | sing | 1.53Å | 1.47Å | |
| O3 | C17 | sing | 1.43Å | 1.43Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.08Å | 1.08Å | |
| N1 | H17 | sing | 0.97Å | 1.00Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| N | H19 | sing | 0.97Å | 1.00Å | |
| C2 | H20 | sing | 1.08Å | 1.08Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 120.9° | 119.1° |
| C | C1 | N2 | 116.9° | 119.1° |
| C1 | C | H21 | 109.5° | 109.4° |
| C1 | C | H22 | 109.5° | 109.5° |
| C1 | C | H23 | 109.5° | 109.5° |
| C1 | C2 | C3 | 119.8° | 119.9° |
| C2 | C1 | N2 | 122.1° | 121.8° |
| C1 | C2 | H20 | 120.1° | 120.1° |
| C2 | C3 | C4 | 119.9° | 118.2° |
| C2 | C3 | H1 | 120.1° | 120.9° |
| C3 | C2 | H20 | 120.1° | 120.0° |
| C1 | N2 | C26 | 118.9° | 121.4° |
| C3 | C4 | C26 | 117.5° | 119.0° |
| C3 | C4 | C5 | 123.6° | 121.2° |
| C4 | C3 | H1 | 120.0° | 120.9° |
| N2 | C26 | C4 | 121.8° | 119.8° |
| N2 | C26 | C25 | 119.1° | 120.8° |
| C26 | C4 | C5 | 118.7° | 119.8° |
| C4 | C26 | C25 | 118.9° | 119.4° |
| C4 | C5 | C6 | 121.1° | 119.4° |
| C4 | C5 | H2 | 119.4° | 120.3° |
| C26 | C25 | C24 | 120.8° | 120.1° |
| C26 | C25 | H16 | 119.6° | 119.9° |
| C5 | C6 | C24 | 119.5° | 120.4° |
| C5 | C6 | C7 | 120.2° | 119.8° |
| C6 | C5 | H2 | 119.4° | 120.3° |
| C25 | C24 | C6 | 120.8° | 120.9° |
| C25 | C24 | H15 | 119.6° | 119.6° |
| C24 | C25 | H16 | 119.6° | 120.0° |
| C23 | C22 | C8 | 121.8° | 120.0° |
| C23 | C22 | C21 | 120.7° | 120.0° |
| C22 | C23 | H12 | 109.5° | 109.5° |
| C22 | C23 | H13 | 109.4° | 109.5° |
| C22 | C23 | H14 | 109.5° | 109.5° |
| C24 | C6 | C7 | 120.1° | 119.8° |
| C6 | C24 | H15 | 119.6° | 119.5° |
| C6 | C7 | N | 115.8° | 120.0° |
| C6 | C7 | O | 121.0° | 120.0° |
| C8 | N | C7 | 125.9° | 120.0° |
| N | C8 | C22 | 118.6° | 120.0° |
| N | C8 | C9 | 120.7° | 120.0° |
| C8 | N | H19 | 117.1° | 120.0° |
| N | C7 | O | 123.2° | 120.0° |
| C7 | N | H19 | 117.0° | 120.0° |
| C8 | C22 | C21 | 117.5° | 120.1° |
| C22 | C8 | C9 | 120.7° | 120.0° |
| C22 | C21 | C20 | 122.0° | 120.1° |
| C22 | C21 | H18 | 119.0° | 120.0° |
| C8 | C9 | C10 | 120.3° | 119.8° |
| C8 | C9 | H3 | 119.8° | 120.1° |
| C21 | C20 | C10 | 119.9° | 120.1° |
| C21 | C20 | H11 | 120.0° | 120.0° |
| C20 | C21 | H18 | 119.0° | 119.9° |
| C9 | C10 | C20 | 119.5° | 119.9° |
| C9 | C10 | N1 | 119.1° | 120.0° |
| C10 | C9 | H3 | 119.8° | 120.1° |
| C20 | C10 | N1 | 121.5° | 120.1° |
| C10 | C20 | H11 | 120.0° | 119.9° |
| C10 | N1 | C11 | 125.7° | 120.0° |
| C10 | N1 | H17 | 117.1° | 120.0° |
| N1 | C11 | O1 | 123.0° | 120.0° |
| N1 | C11 | C12 | 116.2° | 120.0° |
| C11 | N1 | H17 | 117.1° | 120.0° |
| O1 | C11 | C12 | 120.8° | 120.0° |
| C11 | C12 | C13 | 123.0° | 120.1° |
| C11 | C12 | C19 | 117.5° | 120.1° |
| C12 | C13 | C14 | 120.8° | 120.0° |
| C13 | C12 | C19 | 119.5° | 119.8° |
| C12 | C13 | H4 | 119.6° | 120.0° |
| C13 | C14 | C15 | 119.5° | 120.3° |
| C14 | C13 | H4 | 119.6° | 120.0° |
| C13 | C14 | H5 | 120.3° | 119.9° |
| C12 | C19 | C18 | 120.1° | 119.9° |
| C12 | C19 | H10 | 119.9° | 120.0° |
| C14 | C15 | C18 | 119.9° | 120.0° |
| C14 | C15 | O2 | 118.1° | 119.2° |
| C15 | C14 | H5 | 120.2° | 119.8° |
| C19 | C18 | C15 | 120.1° | 120.0° |
| C19 | C18 | O3 | 117.7° | 119.3° |
| C18 | C19 | H10 | 119.9° | 120.0° |
| C18 | C15 | O2 | 122.0° | 120.7° |
| C15 | C18 | O3 | 122.2° | 120.7° |
| C15 | O2 | C16 | 113.5° | 116.8° |
| C18 | O3 | C17 | 113.9° | 116.7° |
| O2 | C16 | C17 | 112.5° | 108.3° |
| O2 | C16 | H6 | 108.7° | 109.7° |
| O2 | C16 | H7 | 108.7° | 109.8° |
| C16 | C17 | O3 | 112.0° | 108.3° |
| C17 | C16 | H6 | 108.7° | 109.7° |
| C17 | C16 | H7 | 108.7° | 109.7° |
| C16 | C17 | H8 | 108.8° | 109.7° |
| C16 | C17 | H9 | 108.8° | 109.7° |
| O3 | C17 | H8 | 108.9° | 109.7° |
| O3 | C17 | H9 | 108.8° | 109.8° |
| H6 | C16 | H7 | 109.4° | 109.7° |
| H8 | C17 | H9 | 109.5° | 109.7° |
| H12 | C23 | H13 | 109.4° | 109.5° |
| H12 | C23 | H14 | 109.4° | 109.4° |
| H13 | C23 | H14 | 109.5° | 109.4° |
| H21 | C | H22 | 109.5° | 109.5° |
| H21 | C | H23 | 109.5° | 109.4° |
| H22 | C | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | N2 | 177.4° | 179.7° |
| C | C1 | C2 | C3 | 176.0° | 179.7° |
| C | C1 | N2 | C26 | 175.4° | 179.7° |
| C | C1 | C2 | H20 | 3.9° | 0.3° |
| C1 | C | H21 | H22 | 120.0° | 120.0° |
| C1 | C | H21 | H23 | 120.0° | 120.0° |
| C1 | C | H22 | H23 | 120.0° | 120.1° |
| C1 | C2 | C3 | H20 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.5° | 0.0° |
| C2 | C1 | N2 | C26 | 2.1° | 0.1° |
| C1 | C2 | C3 | H1 | 179.5° | 180.0° |
| C2 | C1 | C | H21 | 177.5° | 90.3° |
| C2 | C1 | C | H22 | 57.5° | 29.7° |
| C2 | C1 | C | H23 | 62.5° | 149.8° |
| C3 | C2 | C1 | N2 | 1.3° | 0.0° |
| C2 | C3 | C4 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | C26 | 1.4° | 0.0° |
| C2 | C3 | C4 | C5 | 173.2° | 179.9° |
| C1 | N2 | C26 | C4 | 1.0° | 0.1° |
| C1 | N2 | C26 | C25 | 174.1° | 180.0° |
| N2 | C1 | C2 | H20 | 178.7° | 179.9° |
| N2 | C1 | C | H21 | 0.0° | 90.0° |
| N2 | C1 | C | H22 | 120.0° | 150.0° |
| N2 | C1 | C | H23 | 120.0° | 29.9° |
| C3 | C4 | C26 | N2 | 0.7° | 0.1° |
| C3 | C4 | C26 | C5 | 174.9° | 179.9° |
| C3 | C4 | C26 | C25 | 175.8° | 180.0° |
| C3 | C4 | C5 | C6 | 173.2° | 180.0° |
| C3 | C4 | C5 | H2 | 6.8° | 0.1° |
| C4 | C3 | C2 | H20 | 179.5° | 179.9° |
| N2 | C26 | C4 | C25 | 175.1° | 180.0° |
| N2 | C26 | C4 | C5 | 174.2° | 180.0° |
| N2 | C26 | C25 | C24 | 173.3° | 180.0° |
| N2 | C26 | C25 | H16 | 6.7° | 0.0° |
| C26 | C4 | C5 | C6 | 1.4° | 0.1° |
| C4 | C26 | C25 | C24 | 1.9° | 0.0° |
| C26 | C4 | C3 | H1 | 178.6° | 180.0° |
| C26 | C4 | C5 | H2 | 178.7° | 180.0° |
| C4 | C26 | C25 | H16 | 178.1° | 180.0° |
| C5 | C4 | C26 | C25 | 0.9° | 0.1° |
| C4 | C5 | C6 | H2 | 180.0° | 179.9° |
| C4 | C5 | C6 | C24 | 2.6° | 0.1° |
| C4 | C5 | C6 | C7 | 173.2° | 180.0° |
| C5 | C4 | C3 | H1 | 6.8° | 0.1° |
| C26 | C25 | C24 | H16 | 180.0° | 180.0° |
| C26 | C25 | C24 | C6 | 0.7° | 0.0° |
| C26 | C25 | C24 | H15 | 179.3° | 180.0° |
| C5 | C6 | C24 | C25 | 1.6° | 0.0° |
| C5 | C6 | C24 | C7 | 175.8° | 180.0° |
| C5 | C6 | C7 | N | 2.1° | 180.0° |
| C5 | C6 | C7 | O | 179.0° | 0.0° |
| C5 | C6 | C24 | H15 | 178.4° | 180.0° |
| C25 | C24 | C6 | H15 | 180.0° | 180.0° |
| C25 | C24 | C6 | C7 | 174.2° | 180.0° |
| C23 | C22 | C8 | N | 3.5° | 0.3° |
| C23 | C22 | C8 | C21 | 178.8° | 179.9° |
| C23 | C22 | C8 | C9 | 177.9° | 179.9° |
| C23 | C22 | C21 | C20 | 178.2° | 180.0° |
| C22 | C23 | H12 | H13 | 120.0° | 120.1° |
| C22 | C23 | H12 | H14 | 120.0° | 120.0° |
| C22 | C23 | H13 | H14 | 120.0° | 120.0° |
| C23 | C22 | C21 | H18 | 1.8° | 0.2° |
| C24 | C6 | C7 | N | 173.7° | 0.0° |
| C24 | C6 | C7 | O | 5.2° | 180.0° |
| C24 | C6 | C5 | H2 | 177.4° | 180.0° |
| C6 | C24 | C25 | H16 | 179.3° | 180.0° |
| C6 | C7 | N | C8 | 170.4° | 174.2° |
| C6 | C7 | N | O | 178.9° | 180.0° |
| C7 | C6 | C5 | H2 | 6.8° | 0.1° |
| C7 | C6 | C24 | H15 | 5.8° | 0.0° |
| C6 | C7 | N | H19 | 9.6° | 5.8° |
| C8 | N | C7 | H19 | 180.0° | 180.0° |
| N | C8 | C22 | C9 | 178.7° | 179.7° |
| N | C8 | C22 | C21 | 177.8° | 179.8° |
| C8 | N | C7 | O | 8.4° | 5.8° |
| N | C8 | C9 | C10 | 177.9° | 179.7° |
| N | C8 | C9 | H3 | 2.1° | 0.2° |
| C7 | N | C8 | C22 | 148.2° | 159.8° |
| C7 | N | C8 | C9 | 33.1° | 20.0° |
| C8 | C22 | C21 | C20 | 0.5° | 0.1° |
| C22 | C8 | C9 | C10 | 0.7° | 0.0° |
| C22 | C8 | C9 | H3 | 179.3° | 180.0° |
| C8 | C22 | C23 | H12 | 90.7° | 89.9° |
| C8 | C22 | C23 | H13 | 149.4° | 150.0° |
| C8 | C22 | C23 | H14 | 29.3° | 30.0° |
| C8 | C22 | C21 | H18 | 179.5° | 180.0° |
| C22 | C8 | N | H19 | 31.8° | 20.2° |
| C21 | C22 | C8 | C9 | 0.9° | 0.1° |
| C22 | C21 | C20 | H18 | 180.0° | 179.9° |
| C22 | C21 | C20 | C10 | 0.0° | 0.1° |
| C22 | C21 | C20 | H11 | 180.0° | 179.9° |
| C21 | C22 | C23 | H12 | 90.6° | 89.9° |
| C21 | C22 | C23 | H13 | 29.4° | 30.2° |
| C21 | C22 | C23 | H14 | 149.4° | 150.1° |
| C8 | C9 | C10 | H3 | 180.0° | 180.0° |
| C8 | C9 | C10 | C20 | 0.2° | 0.1° |
| C8 | C9 | C10 | N1 | 179.0° | 180.0° |
| C9 | C8 | N | H19 | 146.9° | 160.1° |
| O | C7 | N | H19 | 171.6° | 174.2° |
| C21 | C20 | C10 | C9 | 0.2° | 0.0° |
| C21 | C20 | C10 | H11 | 180.0° | 180.0° |
| C21 | C20 | C10 | N1 | 179.3° | 179.9° |
| C9 | C10 | C20 | N1 | 179.2° | 179.9° |
| C9 | C10 | N1 | C11 | 33.2° | 144.1° |
| C9 | C10 | C20 | H11 | 179.8° | 180.0° |
| C9 | C10 | N1 | H17 | 146.8° | 35.8° |
| C20 | C10 | N1 | C11 | 147.6° | 36.0° |
| C20 | C10 | C9 | H3 | 179.8° | 180.0° |
| C20 | C10 | N1 | H17 | 32.4° | 144.1° |
| C10 | C20 | C21 | H18 | 180.0° | 179.9° |
| C10 | N1 | C11 | H17 | 180.0° | 180.0° |
| C10 | N1 | C11 | O1 | 5.7° | 4.7° |
| C10 | N1 | C11 | C12 | 174.8° | 175.4° |
| N1 | C10 | C9 | H3 | 1.0° | 0.1° |
| N1 | C10 | C20 | H11 | 0.7° | 0.1° |
| N1 | C11 | O1 | C12 | 179.5° | 179.9° |
| N1 | C11 | C12 | C13 | 9.7° | 0.3° |
| N1 | C11 | C12 | C19 | 167.7° | 180.0° |
| O1 | C11 | C12 | C13 | 170.8° | 179.7° |
| O1 | C11 | C12 | C19 | 11.8° | 0.1° |
| O1 | C11 | N1 | H17 | 174.3° | 175.3° |
| C11 | C12 | C13 | C19 | 177.4° | 179.7° |
| C11 | C12 | C13 | C14 | 176.7° | 179.9° |
| C11 | C12 | C19 | C18 | 176.1° | 179.7° |
| C11 | C12 | C13 | H4 | 3.3° | 0.0° |
| C11 | C12 | C19 | H10 | 3.9° | 0.1° |
| C12 | C11 | N1 | H17 | 5.2° | 4.6° |
| C12 | C13 | C14 | H4 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.5° | 0.0° |
| C13 | C12 | C19 | C18 | 1.4° | 0.6° |
| C12 | C13 | C14 | H5 | 179.5° | 180.0° |
| C13 | C12 | C19 | H10 | 178.6° | 179.7° |
| C14 | C13 | C12 | C19 | 0.7° | 0.4° |
| C13 | C14 | C15 | H5 | 180.0° | 179.9° |
| C13 | C14 | C15 | C18 | 0.8° | 0.1° |
| C13 | C14 | C15 | O2 | 178.8° | 179.7° |
| C12 | C19 | C18 | H10 | 180.0° | 179.7° |
| C12 | C19 | C18 | C15 | 1.1° | 0.4° |
| C12 | C19 | C18 | O3 | 176.1° | 180.0° |
| C19 | C12 | C13 | H4 | 179.3° | 179.6° |
| C14 | C15 | C18 | C19 | 0.0° | 0.1° |
| C14 | C15 | C18 | O2 | 179.6° | 179.8° |
| C14 | C15 | C18 | O3 | 177.1° | 179.6° |
| C14 | C15 | O2 | C16 | 166.7° | 162.8° |
| C15 | C14 | C13 | H4 | 179.6° | 180.0° |
| C19 | C18 | C15 | O3 | 177.1° | 179.6° |
| C19 | C18 | C15 | O2 | 179.6° | 179.9° |
| C19 | C18 | O3 | C17 | 165.1° | 163.1° |
| C18 | C15 | O2 | C16 | 13.6° | 17.4° |
| C15 | C18 | O3 | C17 | 12.1° | 17.4° |
| C18 | C15 | C14 | H5 | 179.2° | 179.8° |
| C15 | C18 | C19 | H10 | 178.9° | 179.9° |
| O2 | C15 | C18 | O3 | 2.5° | 0.6° |
| C15 | O2 | C16 | C17 | 42.8° | 46.3° |
| O2 | C15 | C14 | H5 | 1.2° | 0.4° |
| C15 | O2 | C16 | H6 | 163.2° | 73.3° |
| C15 | O2 | C16 | H7 | 77.7° | 166.0° |
| C18 | O3 | C17 | C16 | 40.9° | 46.2° |
| C18 | O3 | C17 | H8 | 79.5° | 73.4° |
| C18 | O3 | C17 | H9 | 161.3° | 165.9° |
| O3 | C18 | C19 | H10 | 3.9° | 0.3° |
| O2 | C16 | C17 | H6 | 120.5° | 119.6° |
| O2 | C16 | C17 | H7 | 120.5° | 119.8° |
| O2 | C16 | C17 | O3 | 57.9° | 59.7° |
| O2 | C16 | H6 | H7 | 118.6° | 120.7° |
| O2 | C16 | C17 | H8 | 62.5° | 59.9° |
| O2 | C16 | C17 | H9 | 178.2° | 179.5° |
| C16 | C17 | O3 | H8 | 120.4° | 119.7° |
| C16 | C17 | O3 | H9 | 120.4° | 119.7° |
| C17 | C16 | H6 | H7 | 118.6° | 120.6° |
| C16 | C17 | H8 | H9 | 118.8° | 120.6° |
| O3 | C17 | C16 | H6 | 178.3° | 59.9° |
| O3 | C17 | C16 | H7 | 62.6° | 179.5° |
| O3 | C17 | H8 | H9 | 118.8° | 120.7° |
| H1 | C3 | C2 | H20 | 0.5° | 0.0° |
| H4 | C13 | C14 | H5 | 0.5° | 0.1° |
| H6 | C16 | C17 | H8 | 57.9° | 179.6° |
| H6 | C16 | C17 | H9 | 61.3° | 59.9° |
| H7 | C16 | C17 | H8 | 177.0° | 59.8° |
| H7 | C16 | C17 | H9 | 57.8° | 60.7° |
| H11 | C20 | C21 | H18 | 0.0° | 0.1° |
| H12 | C23 | H13 | H14 | 120.0° | 119.9° |
| H15 | C24 | C25 | H16 | 0.7° | 0.0° |
| H21 | C | H22 | H23 | 120.0° | 119.9° |
