U26
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F01 | C02 | sing | 1.35Å | 1.36Å | |
| C03 | C02 | doub | 1.39Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | N16 | sing | 1.33Å | 1.34Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| N16 | C17 | doub | 1.31Å | 1.33Å | Aromatic |
| C05 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.51Å | 1.52Å | |
| O10 | C09 | doub | 1.21Å | 1.19Å | |
| C09 | C08 | sing | 1.52Å | 1.51Å | |
| C09 | N11 | sing | 1.35Å | 1.44Å | |
| C08 | N07 | sing | 1.47Å | 1.46Å | |
| C14 | N11 | sing | 1.40Å | 1.43Å | |
| C14 | C23 | sing | 1.41Å | 1.42Å | Aromatic |
| N11 | C12 | sing | 1.34Å | 1.49Å | |
| C17 | C18 | sing | 1.40Å | 1.43Å | Aromatic |
| N07 | C12 | sing | 1.35Å | 1.48Å | |
| N07 | C06 | sing | 1.47Å | 1.45Å | |
| C12 | O13 | doub | 1.22Å | 1.21Å | |
| C23 | C18 | doub | 1.42Å | 1.36Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.43Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.43Å | Aromatic |
| C22 | C21 | doub | 1.36Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.36Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| C03 | H7 | sing | 1.08Å | 1.08Å | |
| C04 | H8 | sing | 1.08Å | 1.08Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F01 | C02 | C03 | 118.4° | 120.0° |
| F01 | C02 | C25 | 120.1° | 120.0° |
| C02 | C03 | C04 | 119.6° | 120.0° |
| C03 | C02 | C25 | 121.5° | 120.0° |
| C02 | C03 | H7 | 120.2° | 120.0° |
| C03 | C04 | C05 | 119.0° | 120.0° |
| C04 | C03 | H7 | 120.2° | 120.0° |
| C03 | C04 | H8 | 120.5° | 120.0° |
| C02 | C25 | C24 | 118.9° | 119.9° |
| C02 | C25 | H14 | 120.6° | 120.0° |
| C04 | C05 | C24 | 121.2° | 120.0° |
| C04 | C05 | C06 | 120.0° | 119.9° |
| C05 | C04 | H8 | 120.5° | 120.0° |
| C25 | C24 | C05 | 119.9° | 120.1° |
| C25 | C24 | H6 | 120.1° | 120.0° |
| C24 | C25 | H14 | 120.6° | 120.0° |
| N16 | C15 | C14 | 118.9° | 121.6° |
| C15 | N16 | C17 | 121.1° | 122.9° |
| N16 | C15 | H1 | 120.5° | 119.2° |
| C15 | C14 | N11 | 123.2° | 120.8° |
| C15 | C14 | C23 | 121.8° | 118.5° |
| C14 | C15 | H1 | 120.6° | 119.2° |
| N16 | C17 | C18 | 122.6° | 120.2° |
| N16 | C17 | H2 | 118.7° | 119.9° |
| C24 | C05 | C06 | 118.8° | 120.0° |
| C05 | C24 | H6 | 120.0° | 120.0° |
| C05 | C06 | N07 | 111.6° | 109.5° |
| C05 | C06 | H9 | 108.9° | 109.5° |
| C05 | C06 | H10 | 108.9° | 109.5° |
| O10 | C09 | C08 | 127.7° | 127.2° |
| O10 | C09 | N11 | 126.6° | 127.2° |
| C08 | C09 | N11 | 105.7° | 105.7° |
| C09 | C08 | N07 | 109.0° | 103.6° |
| C09 | C08 | H11 | 109.6° | 110.6° |
| C09 | C08 | H12 | 109.6° | 110.7° |
| C09 | N11 | C14 | 127.9° | 124.2° |
| C09 | N11 | C12 | 111.0° | 111.6° |
| C08 | N07 | C12 | 108.2° | 106.6° |
| C08 | N07 | C06 | 126.8° | 126.7° |
| N07 | C08 | H11 | 109.6° | 110.6° |
| N07 | C08 | H12 | 109.6° | 110.6° |
| N11 | C14 | C23 | 114.9° | 120.8° |
| C14 | N11 | C12 | 121.1° | 124.2° |
| C14 | C23 | C18 | 117.9° | 118.2° |
| C14 | C23 | C22 | 121.2° | 122.2° |
| N11 | C12 | N07 | 106.2° | 112.4° |
| N11 | C12 | O13 | 126.7° | 123.8° |
| C17 | C18 | C23 | 117.7° | 118.7° |
| C17 | C18 | C19 | 122.8° | 122.0° |
| C18 | C17 | H2 | 118.7° | 119.9° |
| C12 | N07 | C06 | 125.1° | 126.7° |
| N07 | C12 | O13 | 127.1° | 123.8° |
| N07 | C06 | H9 | 108.9° | 109.4° |
| N07 | C06 | H10 | 108.9° | 109.5° |
| C18 | C23 | C22 | 120.8° | 119.6° |
| C23 | C18 | C19 | 119.5° | 119.3° |
| C23 | C22 | C21 | 119.4° | 119.5° |
| C23 | C22 | H5 | 120.3° | 120.2° |
| C18 | C19 | C20 | 119.9° | 119.5° |
| C18 | C19 | H13 | 120.0° | 120.2° |
| C22 | C21 | C20 | 120.3° | 121.0° |
| C22 | C21 | H4 | 119.9° | 119.5° |
| C21 | C22 | H5 | 120.3° | 120.2° |
| C19 | C20 | C21 | 120.1° | 121.1° |
| C19 | C20 | H3 | 120.0° | 119.4° |
| C20 | C19 | H13 | 120.1° | 120.3° |
| C21 | C20 | H3 | 120.0° | 119.5° |
| C20 | C21 | H4 | 119.9° | 119.5° |
| H9 | C06 | H10 | 109.5° | 109.5° |
| H11 | C08 | H12 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F01 | C02 | C03 | C25 | 179.5° | 179.9° |
| F01 | C02 | C03 | C04 | 179.7° | 179.8° |
| F01 | C02 | C25 | C24 | 179.7° | 180.0° |
| F01 | C02 | C03 | H7 | 0.3° | 0.0° |
| F01 | C02 | C25 | H14 | 0.3° | 0.1° |
| C02 | C03 | C04 | H7 | 180.0° | 179.8° |
| C02 | C03 | C04 | C05 | 0.1° | 0.2° |
| C03 | C02 | C25 | C24 | 0.2° | 0.1° |
| C02 | C03 | C04 | H8 | 179.9° | 180.0° |
| C03 | C02 | C25 | H14 | 179.8° | 180.0° |
| C04 | C03 | C02 | C25 | 0.1° | 0.3° |
| C03 | C04 | C05 | H8 | 180.0° | 179.8° |
| C03 | C04 | C05 | C24 | 0.1° | 0.1° |
| C03 | C04 | C05 | C06 | 180.0° | 180.0° |
| C02 | C25 | C24 | H14 | 180.0° | 179.9° |
| C02 | C25 | C24 | C05 | 0.1° | 0.2° |
| C02 | C25 | C24 | H6 | 179.9° | 180.0° |
| C25 | C02 | C03 | H7 | 179.9° | 179.9° |
| C04 | C05 | C24 | C25 | 0.1° | 0.3° |
| C04 | C05 | C24 | C06 | 180.0° | 180.0° |
| C04 | C05 | C06 | N07 | 23.4° | 90.0° |
| C04 | C05 | C24 | H6 | 179.9° | 179.9° |
| C05 | C04 | C03 | H7 | 179.9° | 180.0° |
| C04 | C05 | C06 | H9 | 97.0° | 150.1° |
| C04 | C05 | C06 | H10 | 143.7° | 30.0° |
| C25 | C24 | C05 | H6 | 180.0° | 179.8° |
| C25 | C24 | C05 | C06 | 179.9° | 179.8° |
| N16 | C15 | C14 | H1 | 180.0° | 179.6° |
| N16 | C15 | C14 | N11 | 177.9° | 180.0° |
| N16 | C15 | C14 | C23 | 0.8° | 0.0° |
| C15 | N16 | C17 | C18 | 0.2° | 0.0° |
| C15 | N16 | C17 | H2 | 179.8° | 180.0° |
| C14 | C15 | N16 | C17 | 0.3° | 0.0° |
| C15 | C14 | N11 | C09 | 84.2° | 90.1° |
| C15 | C14 | N11 | C23 | 177.3° | 180.0° |
| C15 | C14 | N11 | C12 | 97.4° | 89.9° |
| C15 | C14 | C23 | C18 | 0.8° | 0.0° |
| C15 | C14 | C23 | C22 | 179.6° | 179.9° |
| N16 | C17 | C18 | H2 | 180.0° | 180.0° |
| N16 | C17 | C18 | C23 | 0.2° | 0.1° |
| N16 | C17 | C18 | C19 | 180.0° | 180.0° |
| C17 | N16 | C15 | H1 | 179.7° | 179.6° |
| C24 | C05 | C06 | N07 | 156.6° | 90.0° |
| C24 | C05 | C04 | H8 | 179.9° | 179.7° |
| C24 | C05 | C06 | H9 | 83.1° | 30.0° |
| C24 | C05 | C06 | H10 | 36.3° | 150.0° |
| C05 | C24 | C25 | H14 | 179.9° | 179.7° |
| C05 | C06 | N07 | C08 | 97.0° | 90.0° |
| C05 | C06 | N07 | C12 | 84.7° | 90.0° |
| C05 | C06 | N07 | H9 | 120.3° | 120.0° |
| C05 | C06 | N07 | H10 | 120.3° | 120.0° |
| C06 | C05 | C24 | H6 | 0.1° | 0.0° |
| C06 | C05 | C04 | H8 | 0.0° | 0.2° |
| C05 | C06 | H9 | H10 | 119.0° | 120.0° |
| O10 | C09 | C08 | N11 | 179.3° | 180.0° |
| O10 | C09 | C08 | N07 | 179.3° | 180.0° |
| O10 | C09 | N11 | C14 | 1.8° | 0.0° |
| O10 | C09 | N11 | C12 | 179.6° | 180.0° |
| O10 | C09 | C08 | H11 | 60.8° | 61.4° |
| O10 | C09 | C08 | H12 | 59.4° | 61.4° |
| C09 | C08 | N07 | H11 | 119.9° | 118.5° |
| C09 | C08 | N07 | H12 | 119.9° | 118.7° |
| C08 | C09 | N11 | C14 | 178.8° | 180.0° |
| C08 | C09 | N11 | C12 | 0.3° | 0.0° |
| C09 | C08 | N07 | C12 | 0.3° | 0.0° |
| C09 | C08 | N07 | C06 | 178.9° | 180.0° |
| C09 | C08 | H11 | H12 | 120.2° | 122.9° |
| N11 | C09 | C08 | N07 | 0.0° | 0.0° |
| C09 | N11 | C14 | C12 | 178.4° | 180.0° |
| C09 | N11 | C14 | C23 | 98.5° | 90.0° |
| C09 | N11 | C12 | N07 | 0.5° | 0.0° |
| C09 | N11 | C12 | O13 | 179.9° | 180.0° |
| N11 | C09 | C08 | H11 | 119.9° | 118.5° |
| N11 | C09 | C08 | H12 | 120.0° | 118.6° |
| C08 | N07 | C12 | N11 | 0.5° | 0.0° |
| C08 | N07 | C12 | C06 | 178.6° | 180.0° |
| C08 | N07 | C12 | O13 | 179.9° | 180.0° |
| C08 | N07 | C06 | H9 | 23.3° | 30.0° |
| C08 | N07 | C06 | H10 | 142.7° | 150.0° |
| N07 | C08 | H11 | H12 | 120.2° | 122.9° |
| C14 | N11 | C12 | N07 | 179.2° | 180.0° |
| C14 | N11 | C12 | O13 | 1.4° | 0.0° |
| N11 | C14 | C23 | C18 | 178.1° | 179.9° |
| N11 | C14 | C23 | C22 | 2.2° | 0.0° |
| N11 | C14 | C15 | H1 | 2.1° | 0.4° |
| C23 | C14 | N11 | C12 | 79.9° | 90.0° |
| C14 | C23 | C18 | C17 | 0.3° | 0.1° |
| C14 | C23 | C18 | C22 | 179.7° | 179.9° |
| C14 | C23 | C18 | C19 | 179.5° | 180.0° |
| C14 | C23 | C22 | C21 | 179.5° | 179.9° |
| C23 | C14 | C15 | H1 | 179.2° | 179.7° |
| C14 | C23 | C22 | H5 | 0.6° | 0.1° |
| N11 | C12 | N07 | O13 | 179.4° | 180.0° |
| N11 | C12 | N07 | C06 | 179.1° | 180.0° |
| C17 | C18 | C23 | C19 | 179.8° | 179.9° |
| C17 | C18 | C23 | C22 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 179.8° | 180.0° |
| C17 | C18 | C19 | H13 | 0.2° | 0.0° |
| C12 | N07 | C06 | H9 | 155.0° | 150.0° |
| C12 | N07 | C06 | H10 | 35.6° | 30.0° |
| C12 | N07 | C08 | H11 | 119.6° | 118.5° |
| C12 | N07 | C08 | H12 | 120.3° | 118.7° |
| C06 | N07 | C12 | O13 | 1.5° | 0.0° |
| N07 | C06 | H9 | H10 | 119.0° | 120.0° |
| C06 | N07 | C08 | H11 | 59.0° | 61.5° |
| C06 | N07 | C08 | H12 | 61.2° | 61.3° |
| C18 | C23 | C22 | C21 | 0.2° | 0.1° |
| C23 | C18 | C19 | C20 | 0.0° | 0.0° |
| C23 | C18 | C17 | H2 | 179.8° | 179.9° |
| C18 | C23 | C22 | H5 | 179.8° | 180.0° |
| C23 | C18 | C19 | H13 | 180.0° | 180.0° |
| C22 | C23 | C18 | C19 | 0.1° | 0.1° |
| C23 | C22 | C21 | H5 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 0.1° | 0.0° |
| C23 | C22 | C21 | H4 | 179.9° | 179.9° |
| C18 | C19 | C20 | H13 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.2° | 0.0° |
| C19 | C18 | C17 | H2 | 0.0° | 0.0° |
| C18 | C19 | C20 | H3 | 179.8° | 180.0° |
| C22 | C21 | C20 | C19 | 0.1° | 0.0° |
| C22 | C21 | C20 | H4 | 180.0° | 179.9° |
| C22 | C21 | C20 | H3 | 179.9° | 180.0° |
| C19 | C20 | C21 | H3 | 180.0° | 180.0° |
| C19 | C20 | C21 | H4 | 179.9° | 179.9° |
| C20 | C21 | C22 | H5 | 179.9° | 180.0° |
| C21 | C20 | C19 | H13 | 179.8° | 180.0° |
| H3 | C20 | C21 | H4 | 0.1° | 0.1° |
| H3 | C20 | C19 | H13 | 0.2° | 0.0° |
| H4 | C21 | C22 | H5 | 0.1° | 0.1° |
| H6 | C24 | C25 | H14 | 0.1° | 0.1° |
| H7 | C03 | C04 | H8 | 0.1° | 0.2° |
