F51
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O06 | C04 | doub | 1.21Å | 1.26Å | |
| O05 | C04 | sing | 1.35Å | 1.26Å | |
| C04 | C03 | sing | 1.48Å | 1.53Å | |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C03 | C02 | doub | 1.39Å | 1.40Å | Aromatic |
| C03 | C07 | sing | 1.46Å | 1.41Å | Aromatic |
| C02 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C08 | C07 | doub | 1.40Å | 1.41Å | Aromatic |
| C08 | C09 | sing | 1.36Å | 1.39Å | Aromatic |
| C07 | C12 | sing | 1.42Å | 1.37Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.48Å | 1.53Å | |
| C14 | N13 | doub | 1.32Å | 1.32Å | Aromatic |
| C15 | C26 | doub | 1.40Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | N10 | doub | 1.32Å | 1.32Å | Aromatic |
| C18 | C19 | sing | 1.48Å | 1.52Å | |
| C18 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | N13 | sing | 1.33Å | 1.34Å | Aromatic |
| C12 | C11 | doub | 1.41Å | 1.41Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| N10 | C11 | sing | 1.31Å | 1.32Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å | |
| C26 | H15 | sing | 1.08Å | 1.08Å | |
| O05 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O06 | C04 | O05 | 119.8° | 120.0° |
| O06 | C04 | C03 | 119.9° | 120.0° |
| O05 | C04 | C03 | 120.3° | 120.0° |
| C04 | O05 | H16 | 109.5° | 117.0° |
| C04 | C03 | C02 | 121.1° | 121.4° |
| C04 | C03 | C07 | 120.5° | 121.4° |
| C01 | C02 | C03 | 117.8° | 120.3° |
| C01 | C02 | C14 | 122.7° | 120.3° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C03 | C07 | 118.4° | 117.1° |
| C03 | C02 | C14 | 119.4° | 119.4° |
| C03 | C07 | C08 | 122.2° | 122.4° |
| C03 | C07 | C12 | 119.3° | 118.9° |
| C02 | C14 | C15 | 126.4° | 118.8° |
| C02 | C14 | N13 | 119.1° | 122.4° |
| C17 | C16 | C15 | 120.2° | 120.0° |
| C16 | C17 | C18 | 119.9° | 120.0° |
| C17 | C16 | H7 | 119.9° | 120.0° |
| C16 | C17 | H8 | 120.0° | 120.0° |
| C16 | C15 | C14 | 121.4° | 120.0° |
| C16 | C15 | C26 | 119.6° | 120.0° |
| C15 | C16 | H7 | 119.9° | 120.0° |
| C07 | C08 | C09 | 118.4° | 118.6° |
| C08 | C07 | C12 | 118.4° | 118.7° |
| C07 | C08 | H5 | 120.8° | 120.7° |
| C08 | C09 | N10 | 121.5° | 121.7° |
| C09 | C08 | H5 | 120.8° | 120.7° |
| C08 | C09 | H6 | 119.3° | 119.1° |
| C07 | C12 | N13 | 120.1° | 120.0° |
| C07 | C12 | C11 | 119.9° | 118.1° |
| C17 | C18 | C19 | 119.6° | 120.0° |
| C17 | C18 | C25 | 120.1° | 120.0° |
| C18 | C17 | H8 | 120.0° | 120.0° |
| C15 | C14 | N13 | 114.5° | 118.8° |
| C14 | C15 | C26 | 118.9° | 120.0° |
| C14 | N13 | C12 | 123.6° | 122.2° |
| C15 | C26 | C25 | 120.2° | 120.0° |
| C15 | C26 | H15 | 119.9° | 120.0° |
| C23 | C24 | C19 | 119.6° | 119.9° |
| C24 | C23 | C22 | 120.3° | 120.1° |
| C24 | C23 | H12 | 119.8° | 119.9° |
| C23 | C24 | H13 | 120.2° | 120.1° |
| C24 | C19 | C18 | 121.7° | 120.1° |
| C24 | C19 | C20 | 120.0° | 119.7° |
| C19 | C24 | H13 | 120.2° | 120.0° |
| C23 | C22 | C21 | 120.1° | 120.3° |
| C23 | C22 | H11 | 119.9° | 119.9° |
| C22 | C23 | H12 | 119.9° | 119.9° |
| C09 | N10 | C11 | 121.8° | 122.9° |
| N10 | C09 | H6 | 119.3° | 119.1° |
| C19 | C18 | C25 | 120.3° | 120.0° |
| C18 | C19 | C20 | 118.2° | 120.1° |
| C18 | C25 | C26 | 119.9° | 120.0° |
| C18 | C25 | H14 | 120.1° | 120.0° |
| N13 | C12 | C11 | 120.0° | 121.9° |
| C12 | C11 | N10 | 120.0° | 119.9° |
| C12 | C11 | H1 | 120.0° | 120.0° |
| C19 | C20 | C21 | 120.4° | 119.9° |
| C19 | C20 | H9 | 119.8° | 120.1° |
| C26 | C25 | H14 | 120.1° | 120.0° |
| C25 | C26 | H15 | 119.9° | 120.0° |
| C22 | C21 | C20 | 119.5° | 120.2° |
| C22 | C21 | H10 | 120.2° | 120.0° |
| C21 | C22 | H11 | 120.0° | 119.9° |
| N10 | C11 | H1 | 120.0° | 120.0° |
| C21 | C20 | H9 | 119.8° | 120.1° |
| C20 | C21 | H10 | 120.3° | 119.9° |
| H2 | C01 | H3 | 109.4° | 109.4° |
| H2 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O06 | C04 | O05 | C03 | 179.9° | 180.0° |
| O06 | C04 | C03 | C02 | 75.4° | 90.0° |
| O06 | C04 | C03 | C07 | 104.4° | 89.9° |
| O06 | C04 | O05 | H16 | 0.0° | 0.0° |
| O05 | C04 | C03 | C02 | 104.7° | 90.0° |
| O05 | C04 | C03 | C07 | 75.5° | 90.1° |
| C04 | C03 | C02 | C01 | 0.2° | 0.0° |
| C04 | C03 | C02 | C07 | 179.8° | 179.9° |
| C04 | C03 | C02 | C14 | 179.7° | 180.0° |
| C04 | C03 | C07 | C08 | 0.2° | 0.1° |
| C04 | C03 | C07 | C12 | 179.9° | 179.9° |
| C03 | C04 | O05 | H16 | 179.9° | 180.0° |
| C01 | C02 | C03 | C14 | 179.5° | 180.0° |
| C01 | C02 | C03 | C07 | 179.9° | 179.9° |
| C01 | C02 | C14 | C15 | 1.3° | 0.0° |
| C01 | C02 | C14 | N13 | 179.8° | 179.9° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H4 | 120.0° | 120.1° |
| C02 | C03 | C07 | C08 | 180.0° | 180.0° |
| C02 | C03 | C07 | C12 | 0.1° | 0.0° |
| C03 | C02 | C14 | C15 | 179.3° | 180.0° |
| C03 | C02 | C14 | N13 | 0.8° | 0.1° |
| C03 | C02 | C01 | H2 | 89.8° | 89.9° |
| C03 | C02 | C01 | H3 | 150.2° | 30.0° |
| C03 | C02 | C01 | H4 | 30.2° | 150.0° |
| C07 | C03 | C02 | C14 | 0.4° | 0.1° |
| C03 | C07 | C08 | C12 | 179.9° | 180.0° |
| C03 | C07 | C08 | C09 | 180.0° | 180.0° |
| C03 | C07 | C12 | N13 | 0.0° | 0.1° |
| C03 | C07 | C12 | C11 | 179.9° | 180.0° |
| C03 | C07 | C08 | H5 | 0.0° | 0.0° |
| C02 | C14 | C15 | C16 | 54.0° | 34.8° |
| C02 | C14 | C15 | N13 | 178.6° | 179.9° |
| C02 | C14 | C15 | C26 | 129.4° | 145.0° |
| C02 | C14 | N13 | C12 | 0.8° | 0.0° |
| C14 | C02 | C01 | H2 | 89.7° | 90.0° |
| C14 | C02 | C01 | H3 | 30.3° | 150.1° |
| C14 | C02 | C01 | H4 | 150.3° | 30.0° |
| C17 | C16 | C15 | H7 | 180.0° | 179.9° |
| C16 | C17 | C18 | H8 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 178.5° | 180.0° |
| C17 | C16 | C15 | C26 | 2.0° | 0.2° |
| C16 | C17 | C18 | C19 | 179.0° | 180.0° |
| C16 | C17 | C18 | C25 | 0.6° | 0.0° |
| C15 | C16 | C17 | C18 | 0.8° | 0.0° |
| C16 | C15 | C14 | C26 | 176.6° | 179.8° |
| C16 | C15 | C14 | N13 | 124.5° | 145.1° |
| C16 | C15 | C26 | C25 | 1.9° | 0.4° |
| C15 | C16 | C17 | H8 | 179.2° | 179.9° |
| C16 | C15 | C26 | H15 | 178.2° | 179.7° |
| C07 | C08 | C09 | H5 | 180.0° | 180.0° |
| C07 | C08 | C09 | N10 | 0.0° | 0.0° |
| C08 | C07 | C12 | N13 | 179.9° | 180.0° |
| C08 | C07 | C12 | C11 | 0.1° | 0.1° |
| C07 | C08 | C09 | H6 | 180.0° | 179.9° |
| C09 | C08 | C07 | C12 | 0.0° | 0.0° |
| C08 | C09 | N10 | H6 | 180.0° | 180.0° |
| C08 | C09 | N10 | C11 | 0.1° | 0.0° |
| C07 | C12 | N13 | C14 | 0.4° | 0.1° |
| C07 | C12 | N13 | C11 | 179.9° | 179.9° |
| C07 | C12 | C11 | N10 | 0.2° | 0.1° |
| C07 | C12 | C11 | H1 | 179.8° | 180.0° |
| C12 | C07 | C08 | H5 | 180.0° | 180.0° |
| C17 | C18 | C19 | C24 | 55.5° | 0.3° |
| C17 | C18 | C19 | C25 | 178.4° | 180.0° |
| C17 | C18 | C19 | C20 | 123.0° | 180.0° |
| C17 | C18 | C25 | C26 | 0.7° | 0.3° |
| C18 | C17 | C16 | H7 | 179.2° | 180.0° |
| C17 | C18 | C25 | H14 | 179.3° | 180.0° |
| C15 | C14 | N13 | C12 | 179.4° | 179.9° |
| C14 | C15 | C26 | C25 | 178.5° | 179.8° |
| C14 | C15 | C16 | H7 | 1.5° | 0.0° |
| C14 | C15 | C26 | H15 | 1.5° | 0.1° |
| N13 | C14 | C15 | C26 | 52.0° | 35.1° |
| C14 | N13 | C12 | C11 | 179.5° | 179.9° |
| C15 | C26 | C25 | C18 | 0.5° | 0.5° |
| C15 | C26 | C25 | H15 | 180.0° | 179.9° |
| C26 | C15 | C16 | H7 | 178.0° | 179.8° |
| C15 | C26 | C25 | H14 | 179.5° | 179.8° |
| C23 | C24 | C19 | H13 | 180.0° | 179.5° |
| C24 | C23 | C22 | H12 | 180.0° | 179.8° |
| C23 | C24 | C19 | C18 | 179.4° | 179.7° |
| C23 | C24 | C19 | C20 | 0.9° | 0.5° |
| C24 | C23 | C22 | C21 | 0.0° | 0.2° |
| C24 | C23 | C22 | H11 | 180.0° | 179.7° |
| C19 | C24 | C23 | C22 | 0.5° | 0.5° |
| C24 | C19 | C18 | C20 | 178.5° | 179.7° |
| C24 | C19 | C18 | C25 | 126.1° | 179.7° |
| C24 | C19 | C20 | C21 | 0.9° | 0.2° |
| C24 | C19 | C20 | H9 | 179.1° | 179.7° |
| C19 | C24 | C23 | H12 | 179.6° | 179.7° |
| C23 | C22 | C21 | H11 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 0.0° | 0.1° |
| C23 | C22 | C21 | H10 | 180.0° | 180.0° |
| C22 | C23 | C24 | H13 | 179.5° | 180.0° |
| C09 | N10 | C11 | C12 | 0.2° | 0.0° |
| C09 | N10 | C11 | H1 | 179.8° | 180.0° |
| N10 | C09 | C08 | H5 | 180.0° | 180.0° |
| C19 | C18 | C25 | C26 | 179.1° | 179.7° |
| C18 | C19 | C20 | C21 | 179.4° | 179.9° |
| C19 | C18 | C17 | H8 | 1.0° | 0.0° |
| C18 | C19 | C20 | H9 | 0.6° | 0.0° |
| C18 | C19 | C24 | H13 | 0.6° | 0.3° |
| C19 | C18 | C25 | H14 | 0.9° | 0.0° |
| C25 | C18 | C19 | C20 | 55.4° | 0.0° |
| C18 | C25 | C26 | H14 | 180.0° | 179.7° |
| C25 | C18 | C17 | H8 | 179.4° | 180.0° |
| C18 | C25 | C26 | H15 | 179.5° | 179.7° |
| N13 | C12 | C11 | N10 | 179.9° | 180.0° |
| N13 | C12 | C11 | H1 | 0.0° | 0.1° |
| C12 | C11 | N10 | H1 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.4° | 0.1° |
| C19 | C20 | C21 | H9 | 180.0° | 180.0° |
| C19 | C20 | C21 | H10 | 179.6° | 180.0° |
| C20 | C19 | C24 | H13 | 179.1° | 180.0° |
| C22 | C21 | C20 | H10 | 180.0° | 179.9° |
| C22 | C21 | C20 | H9 | 179.6° | 180.0° |
| C21 | C22 | C23 | H12 | 180.0° | 180.0° |
| C11 | N10 | C09 | H6 | 179.9° | 179.9° |
| C20 | C21 | C22 | H11 | 180.0° | 180.0° |
| H2 | C01 | H3 | H4 | 120.0° | 120.0° |
| H5 | C08 | C09 | H6 | 0.0° | 0.0° |
| H7 | C16 | C17 | H8 | 0.8° | 0.0° |
| H9 | C20 | C21 | H10 | 0.4° | 0.1° |
| H10 | C21 | C22 | H11 | 0.0° | 0.1° |
| H11 | C22 | C23 | H12 | 0.0° | 0.1° |
| H12 | C23 | C24 | H13 | 0.4° | 0.2° |
| H14 | C25 | C26 | H15 | 0.5° | 0.1° |
