F1B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | N27 | sing | 1.47Å | 1.49Å | |
| C26 | N27 | sing | 1.47Å | 1.50Å | |
| C26 | C21 | sing | 1.53Å | 1.53Å | |
| N27 | C25 | sing | 1.47Å | 1.50Å | |
| C18 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C15 | sing | 1.53Å | 1.52Å | |
| C25 | C20 | sing | 1.53Å | 1.53Å | |
| C13 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | C20 | sing | 1.53Å | 1.52Å | |
| C15 | N8 | sing | 1.47Å | 1.46Å | |
| C19 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C3 | sing | 1.48Å | 1.48Å | |
| N8 | C3 | sing | 1.37Å | 1.33Å | |
| C3 | C1 | doub | 1.39Å | 1.39Å | |
| C22 | C17 | sing | 1.51Å | 1.50Å | |
| C1 | C2 | sing | 1.48Å | 1.46Å | |
| C1 | C4 | sing | 1.42Å | 1.50Å | |
| C6 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | C5 | sing | 1.41Å | 1.41Å | Aromatic |
| O10 | C4 | doub | 1.22Å | 1.23Å | |
| C17 | C12 | sing | 1.47Å | 1.50Å | |
| C17 | O23 | doub | 1.21Å | 1.22Å | |
| C4 | N9 | sing | 1.34Å | 1.36Å | |
| C12 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | N9 | sing | 1.38Å | 1.39Å | |
| C5 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.08Å | 1.08Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C11 | H18 | sing | 1.08Å | 1.08Å | |
| N9 | H19 | sing | 0.97Å | 1.00Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| C19 | H22 | sing | 1.08Å | 1.08Å | |
| C14 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| N8 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | N27 | C26 | 111.5° | 111.0° |
| C28 | N27 | C25 | 111.5° | 111.0° |
| N27 | C28 | H14 | 109.5° | 109.5° |
| N27 | C28 | H15 | 109.4° | 109.5° |
| N27 | C28 | H16 | 109.5° | 109.5° |
| N27 | C26 | C21 | 110.0° | 109.6° |
| C26 | N27 | C25 | 110.2° | 111.2° |
| N27 | C26 | H12 | 109.3° | 109.4° |
| N27 | C26 | H13 | 109.3° | 109.5° |
| C26 | C21 | C15 | 111.4° | 109.2° |
| C26 | C21 | H6 | 109.0° | 109.5° |
| C26 | C21 | H7 | 109.0° | 109.6° |
| C21 | C26 | H12 | 109.3° | 109.4° |
| C21 | C26 | H13 | 109.3° | 109.5° |
| N27 | C25 | C20 | 110.1° | 109.5° |
| N27 | C25 | H24 | 109.3° | 109.5° |
| N27 | C25 | H25 | 109.3° | 109.5° |
| C24 | C18 | C13 | 120.3° | 120.2° |
| C18 | C24 | C19 | 119.8° | 120.3° |
| C18 | C24 | H11 | 120.1° | 119.8° |
| C24 | C18 | H21 | 119.9° | 119.9° |
| C18 | C13 | C7 | 120.4° | 119.8° |
| C18 | C13 | H2 | 119.8° | 120.1° |
| C13 | C18 | H21 | 119.9° | 119.9° |
| C24 | C19 | C14 | 120.3° | 120.2° |
| C19 | C24 | H11 | 120.1° | 119.9° |
| C24 | C19 | H22 | 119.9° | 119.9° |
| C21 | C15 | C20 | 110.9° | 109.2° |
| C21 | C15 | N8 | 110.6° | 109.5° |
| C21 | C15 | H3 | 108.0° | 109.6° |
| C15 | C21 | H6 | 109.0° | 109.5° |
| C15 | C21 | H7 | 109.0° | 109.5° |
| C25 | C20 | C15 | 111.7° | 109.3° |
| C25 | C20 | H4 | 108.9° | 109.5° |
| C25 | C20 | H5 | 108.9° | 109.5° |
| C20 | C25 | H24 | 109.3° | 109.4° |
| C20 | C25 | H25 | 109.3° | 109.5° |
| C13 | C7 | C14 | 118.8° | 119.7° |
| C13 | C7 | C3 | 120.5° | 120.2° |
| C7 | C13 | H2 | 119.8° | 120.1° |
| C20 | C15 | N8 | 110.5° | 109.5° |
| C20 | C15 | H3 | 108.0° | 109.6° |
| C15 | C20 | H4 | 108.9° | 109.5° |
| C15 | C20 | H5 | 108.9° | 109.5° |
| C15 | N8 | C3 | 129.5° | 120.0° |
| N8 | C15 | H3 | 108.8° | 109.5° |
| C15 | N8 | H20 | 104.3° | 120.0° |
| C19 | C14 | C7 | 120.4° | 119.8° |
| C14 | C19 | H22 | 119.9° | 120.0° |
| C19 | C14 | H23 | 119.8° | 120.1° |
| C14 | C7 | C3 | 120.7° | 120.1° |
| C7 | C14 | H23 | 119.8° | 120.1° |
| C7 | C3 | N8 | 118.8° | 120.0° |
| C7 | C3 | C1 | 121.7° | 120.0° |
| N8 | C3 | C1 | 119.4° | 120.0° |
| C3 | N8 | H20 | 104.3° | 120.0° |
| C3 | C1 | C2 | 131.2° | 127.2° |
| C3 | C1 | C4 | 123.5° | 127.2° |
| C22 | C17 | C12 | 119.5° | 120.0° |
| C22 | C17 | O23 | 120.2° | 120.0° |
| C17 | C22 | H8 | 109.5° | 109.5° |
| C17 | C22 | H9 | 109.4° | 109.4° |
| C17 | C22 | H10 | 109.5° | 109.5° |
| C2 | C1 | C4 | 105.3° | 105.7° |
| C1 | C2 | C6 | 134.2° | 133.6° |
| C1 | C2 | C5 | 107.1° | 106.0° |
| C1 | C4 | O10 | 127.6° | 125.5° |
| C1 | C4 | N9 | 107.0° | 109.0° |
| C2 | C6 | C12 | 120.3° | 119.5° |
| C6 | C2 | C5 | 118.7° | 120.5° |
| C2 | C6 | H1 | 119.8° | 120.2° |
| C6 | C12 | C17 | 119.9° | 120.1° |
| C6 | C12 | C16 | 119.7° | 119.8° |
| C12 | C6 | H1 | 119.9° | 120.3° |
| C2 | C5 | N9 | 109.1° | 108.3° |
| C2 | C5 | C11 | 121.7° | 119.5° |
| O10 | C4 | N9 | 125.5° | 125.5° |
| C12 | C17 | O23 | 120.4° | 120.0° |
| C17 | C12 | C16 | 120.4° | 120.1° |
| C4 | N9 | C5 | 111.5° | 111.1° |
| C4 | N9 | H19 | 124.2° | 124.5° |
| C12 | C16 | C11 | 121.2° | 120.5° |
| C12 | C16 | H17 | 119.4° | 119.8° |
| N9 | C5 | C11 | 129.2° | 132.2° |
| C5 | N9 | H19 | 124.2° | 124.4° |
| C5 | C11 | C16 | 118.4° | 120.2° |
| C5 | C11 | H18 | 120.8° | 119.9° |
| C11 | C16 | H17 | 119.4° | 119.8° |
| C16 | C11 | H18 | 120.8° | 119.8° |
| H4 | C20 | H5 | 109.5° | 109.5° |
| H6 | C21 | H7 | 109.5° | 109.5° |
| H8 | C22 | H9 | 109.5° | 109.5° |
| H8 | C22 | H10 | 109.5° | 109.5° |
| H9 | C22 | H10 | 109.5° | 109.5° |
| H12 | C26 | H13 | 109.5° | 109.4° |
| H14 | C28 | H15 | 109.4° | 109.5° |
| H14 | C28 | H16 | 109.5° | 109.4° |
| H15 | C28 | H16 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | N27 | C26 | C25 | 124.5° | 124.1° |
| C28 | N27 | C26 | C21 | 174.8° | 174.1° |
| C28 | N27 | C25 | C20 | 175.2° | 174.2° |
| C28 | N27 | C26 | H12 | 65.1° | 54.1° |
| C28 | N27 | C26 | H13 | 54.7° | 65.8° |
| N27 | C28 | H14 | H15 | 120.0° | 120.0° |
| N27 | C28 | H14 | H16 | 120.0° | 120.0° |
| N27 | C28 | H15 | H16 | 120.0° | 120.1° |
| C28 | N27 | C25 | H24 | 55.1° | 65.8° |
| C28 | N27 | C25 | H25 | 64.7° | 54.2° |
| N27 | C26 | C21 | H12 | 120.1° | 120.0° |
| N27 | C26 | C21 | H13 | 120.1° | 120.1° |
| N27 | C26 | C21 | C15 | 57.0° | 59.2° |
| C26 | N27 | C25 | C20 | 60.3° | 61.7° |
| N27 | C26 | C21 | H6 | 177.3° | 60.7° |
| N27 | C26 | C21 | H7 | 63.3° | 179.1° |
| N27 | C26 | H12 | H13 | 119.7° | 119.9° |
| C26 | N27 | C28 | H14 | 180.0° | 60.0° |
| C26 | N27 | C28 | H15 | 60.0° | 180.0° |
| C26 | N27 | C28 | H16 | 60.0° | 60.0° |
| C26 | N27 | C25 | H24 | 179.6° | 58.3° |
| C26 | N27 | C25 | H25 | 59.8° | 178.3° |
| C21 | C26 | N27 | C25 | 60.8° | 61.8° |
| C26 | C21 | C15 | H6 | 120.3° | 119.9° |
| C26 | C21 | C15 | H7 | 120.3° | 120.0° |
| C26 | C21 | C15 | C20 | 52.8° | 57.7° |
| C26 | C21 | C15 | N8 | 175.7° | 177.6° |
| C26 | C21 | C15 | H3 | 65.3° | 62.3° |
| C26 | C21 | H6 | H7 | 119.1° | 120.2° |
| C21 | C26 | H12 | H13 | 119.7° | 120.0° |
| N27 | C25 | C20 | H24 | 120.1° | 120.0° |
| N27 | C25 | C20 | H25 | 120.1° | 120.0° |
| N27 | C25 | C20 | C15 | 56.3° | 59.2° |
| N27 | C25 | C20 | H4 | 64.0° | 179.1° |
| N27 | C25 | C20 | H5 | 176.6° | 60.8° |
| C25 | N27 | C26 | H12 | 59.3° | 178.2° |
| C25 | N27 | C26 | H13 | 179.1° | 58.3° |
| C25 | N27 | C28 | H14 | 56.3° | 64.2° |
| C25 | N27 | C28 | H15 | 176.2° | 55.8° |
| C25 | N27 | C28 | H16 | 63.8° | 175.8° |
| N27 | C25 | H24 | H25 | 119.7° | 120.0° |
| C24 | C18 | C13 | H21 | 180.0° | 180.0° |
| C18 | C24 | C19 | H11 | 180.0° | 179.5° |
| C24 | C18 | C13 | C7 | 1.5° | 0.0° |
| C18 | C24 | C19 | C14 | 0.2° | 0.5° |
| C24 | C18 | C13 | H2 | 178.5° | 180.0° |
| C18 | C24 | C19 | H22 | 179.8° | 179.4° |
| C13 | C18 | C24 | C19 | 0.3° | 0.3° |
| C18 | C13 | C7 | H2 | 180.0° | 180.0° |
| C18 | C13 | C7 | C14 | 2.4° | 0.0° |
| C18 | C13 | C7 | C3 | 179.2° | 179.7° |
| C13 | C18 | C24 | H11 | 179.6° | 179.8° |
| C24 | C19 | C14 | H22 | 180.0° | 179.9° |
| C24 | C19 | C14 | C7 | 1.2° | 0.5° |
| C19 | C24 | C18 | H21 | 179.7° | 179.7° |
| C24 | C19 | C14 | H23 | 178.9° | 179.5° |
| C21 | C15 | C20 | C25 | 52.5° | 57.7° |
| C21 | C15 | C20 | N8 | 123.0° | 119.9° |
| C21 | C15 | C20 | H3 | 118.1° | 120.0° |
| C21 | C15 | N8 | H3 | 118.5° | 120.2° |
| C21 | C15 | N8 | C3 | 114.6° | 80.1° |
| C21 | C15 | C20 | H4 | 67.8° | 177.6° |
| C21 | C15 | C20 | H5 | 172.9° | 62.3° |
| C15 | C21 | H6 | H7 | 119.1° | 120.1° |
| C15 | C21 | C26 | H12 | 63.0° | 179.2° |
| C15 | C21 | C26 | H13 | 177.1° | 60.9° |
| C21 | C15 | N8 | H20 | 8.0° | 99.9° |
| C25 | C20 | C15 | H4 | 120.3° | 119.9° |
| C25 | C20 | C15 | H5 | 120.3° | 120.0° |
| C25 | C20 | C15 | N8 | 175.5° | 177.6° |
| C25 | C20 | C15 | H3 | 65.6° | 62.3° |
| C25 | C20 | H4 | H5 | 119.0° | 120.1° |
| C20 | C25 | H24 | H25 | 119.7° | 120.0° |
| C13 | C7 | C14 | C19 | 2.2° | 0.2° |
| C13 | C7 | C14 | C3 | 176.8° | 179.7° |
| C13 | C7 | C3 | N8 | 89.5° | 61.9° |
| C13 | C7 | C3 | C1 | 87.3° | 118.0° |
| C7 | C13 | C18 | H21 | 178.5° | 180.0° |
| C13 | C7 | C14 | H23 | 177.8° | 179.8° |
| C20 | C15 | N8 | H3 | 118.4° | 120.1° |
| C20 | C15 | N8 | C3 | 122.2° | 160.2° |
| C15 | C20 | H4 | H5 | 118.9° | 120.1° |
| C20 | C15 | C21 | H6 | 173.1° | 62.3° |
| C20 | C15 | C21 | H7 | 67.5° | 177.6° |
| C15 | C20 | C25 | H24 | 176.4° | 60.8° |
| C15 | C20 | C25 | H25 | 63.8° | 179.2° |
| C20 | C15 | N8 | H20 | 115.1° | 19.8° |
| C15 | N8 | C3 | C7 | 4.4° | 1.3° |
| C15 | N8 | C3 | H20 | 122.6° | 180.0° |
| C15 | N8 | C3 | C1 | 178.8° | 178.6° |
| N8 | C15 | C20 | H4 | 55.2° | 62.5° |
| N8 | C15 | C20 | H5 | 64.1° | 57.6° |
| N8 | C15 | C21 | H6 | 64.0° | 57.6° |
| N8 | C15 | C21 | H7 | 55.4° | 62.5° |
| C19 | C14 | C7 | H23 | 180.0° | 180.0° |
| C19 | C14 | C7 | C3 | 179.0° | 180.0° |
| C14 | C19 | C24 | H11 | 179.8° | 180.0° |
| C14 | C7 | C3 | N8 | 93.8° | 118.4° |
| C14 | C7 | C3 | C1 | 89.4° | 61.7° |
| C14 | C7 | C13 | H2 | 177.6° | 180.0° |
| C7 | C14 | C19 | H22 | 178.8° | 179.4° |
| C7 | C3 | N8 | C1 | 176.9° | 179.9° |
| C7 | C3 | C1 | C2 | 2.1° | 7.2° |
| C7 | C3 | C1 | C4 | 178.4° | 172.4° |
| C3 | C7 | C13 | H2 | 0.8° | 0.3° |
| C3 | C7 | C14 | H23 | 1.0° | 0.0° |
| C7 | C3 | N8 | H20 | 118.3° | 178.7° |
| N8 | C3 | C1 | C2 | 178.9° | 172.7° |
| N8 | C3 | C1 | C4 | 1.6° | 7.7° |
| C3 | N8 | C15 | H3 | 3.9° | 40.0° |
| C3 | C1 | C2 | C4 | 179.6° | 179.7° |
| C3 | C1 | C2 | C6 | 0.2° | 0.6° |
| C3 | C1 | C2 | C5 | 179.8° | 180.0° |
| C3 | C1 | C4 | O10 | 0.7° | 0.1° |
| C3 | C1 | C4 | N9 | 179.5° | 179.7° |
| C1 | C3 | N8 | H20 | 58.6° | 1.4° |
| C22 | C17 | C12 | C6 | 0.9° | 174.7° |
| C22 | C17 | C12 | O23 | 179.5° | 179.9° |
| C22 | C17 | C12 | C16 | 179.9° | 5.6° |
| C17 | C22 | H8 | H9 | 120.0° | 119.9° |
| C17 | C22 | H8 | H10 | 120.0° | 120.0° |
| C17 | C22 | H9 | H10 | 120.0° | 120.0° |
| C1 | C2 | C6 | C5 | 180.0° | 179.4° |
| C1 | C2 | C6 | C12 | 179.8° | 179.4° |
| C2 | C1 | C4 | O10 | 179.7° | 179.8° |
| C2 | C1 | C4 | N9 | 0.1° | 0.1° |
| C1 | C2 | C5 | N9 | 0.5° | 0.4° |
| C1 | C2 | C5 | C11 | 180.0° | 179.9° |
| C1 | C2 | C6 | H1 | 0.2° | 0.7° |
| C4 | C1 | C2 | C6 | 179.8° | 179.8° |
| C4 | C1 | C2 | C5 | 0.2° | 0.3° |
| C1 | C4 | O10 | N9 | 179.8° | 179.8° |
| C1 | C4 | N9 | C5 | 0.5° | 0.2° |
| C1 | C4 | N9 | H19 | 179.5° | 179.8° |
| C2 | C6 | C12 | H1 | 180.0° | 179.9° |
| C2 | C6 | C12 | C17 | 179.7° | 180.0° |
| C2 | C6 | C12 | C16 | 0.5° | 0.3° |
| C6 | C2 | C5 | N9 | 179.5° | 180.0° |
| C6 | C2 | C5 | C11 | 0.1° | 0.4° |
| C12 | C6 | C2 | C5 | 0.3° | 0.0° |
| C6 | C12 | C17 | C16 | 179.2° | 179.7° |
| C6 | C12 | C17 | O23 | 178.6° | 5.4° |
| C6 | C12 | C16 | C11 | 0.4° | 0.2° |
| C6 | C12 | C16 | H17 | 179.6° | 180.0° |
| C2 | C5 | N9 | C4 | 0.6° | 0.4° |
| C2 | C5 | N9 | C11 | 179.4° | 179.6° |
| C2 | C5 | C11 | C16 | 0.0° | 0.4° |
| C5 | C2 | C6 | H1 | 179.7° | 180.0° |
| C2 | C5 | C11 | H18 | 180.0° | 179.5° |
| C2 | C5 | N9 | H19 | 179.4° | 179.6° |
| O10 | C4 | N9 | C5 | 179.4° | 180.0° |
| O10 | C4 | N9 | H19 | 0.6° | 0.1° |
| C17 | C12 | C16 | C11 | 179.6° | 179.9° |
| C17 | C12 | C6 | H1 | 0.4° | 0.1° |
| C12 | C17 | C22 | H8 | 179.5° | 5.0° |
| C12 | C17 | C22 | H9 | 60.5° | 114.9° |
| C12 | C17 | C22 | H10 | 59.5° | 125.0° |
| C17 | C12 | C16 | H17 | 0.4° | 0.3° |
| O23 | C17 | C12 | C16 | 0.6° | 174.3° |
| O23 | C17 | C22 | H8 | 0.0° | 174.9° |
| O23 | C17 | C22 | H9 | 120.0° | 65.2° |
| O23 | C17 | C22 | H10 | 120.0° | 54.9° |
| C4 | N9 | C5 | H19 | 180.0° | 180.0° |
| C4 | N9 | C5 | C11 | 180.0° | 180.0° |
| C12 | C16 | C11 | C5 | 0.2° | 0.1° |
| C12 | C16 | C11 | H17 | 180.0° | 179.8° |
| C16 | C12 | C6 | H1 | 179.6° | 179.7° |
| C12 | C16 | C11 | H18 | 179.8° | 179.8° |
| N9 | C5 | C11 | C16 | 179.4° | 180.0° |
| N9 | C5 | C11 | H18 | 0.6° | 0.1° |
| C5 | C11 | C16 | H18 | 180.0° | 179.9° |
| C5 | C11 | C16 | H17 | 179.8° | 179.6° |
| C11 | C5 | N9 | H19 | 0.0° | 0.0° |
| H2 | C13 | C18 | H21 | 1.4° | 0.0° |
| H3 | C15 | C20 | H4 | 174.1° | 57.6° |
| H3 | C15 | C20 | H5 | 54.7° | 177.7° |
| H3 | C15 | C21 | H6 | 55.0° | 177.7° |
| H3 | C15 | C21 | H7 | 174.4° | 57.6° |
| H3 | C15 | N8 | H20 | 126.5° | 140.0° |
| H4 | C20 | C25 | H24 | 56.1° | 59.1° |
| H4 | C20 | C25 | H25 | 175.9° | 60.8° |
| H5 | C20 | C25 | H24 | 63.3° | 179.2° |
| H5 | C20 | C25 | H25 | 56.5° | 59.2° |
| H6 | C21 | C26 | H12 | 57.2° | 59.3° |
| H6 | C21 | C26 | H13 | 62.6° | 179.2° |
| H7 | C21 | C26 | H12 | 176.7° | 60.9° |
| H7 | C21 | C26 | H13 | 56.8° | 59.1° |
| H8 | C22 | H9 | H10 | 120.0° | 120.0° |
| H11 | C24 | C18 | H21 | 0.4° | 0.2° |
| H11 | C24 | C19 | H22 | 0.2° | 0.1° |
| H14 | C28 | H15 | H16 | 120.0° | 120.0° |
| H17 | C16 | C11 | H18 | 0.2° | 0.5° |
| H22 | C19 | C14 | H23 | 1.1° | 0.6° |
