U9U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N25 | C26 | doub | 1.32Å | 1.32Å | Aromatic |
| N25 | C24 | sing | 1.32Å | 1.32Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| F09 | C08 | sing | 1.40Å | 1.37Å | |
| C22 | C21 | sing | 1.51Å | 1.53Å | |
| F10 | C08 | sing | 1.40Å | 1.37Å | |
| C08 | F11 | sing | 1.40Å | 1.37Å | |
| C08 | C07 | sing | 1.51Å | 1.53Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C12 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | N19 | sing | 1.46Å | 1.45Å | |
| N19 | C18 | sing | 1.35Å | 1.45Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.51Å | 1.53Å | |
| C06 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.53Å | |
| N16 | C04 | sing | 1.34Å | 1.49Å | |
| N16 | C17 | sing | 1.38Å | 1.45Å | |
| C18 | C17 | sing | 1.48Å | 1.53Å | |
| C18 | O28 | doub | 1.22Å | 1.18Å | |
| C04 | N03 | doub | 1.31Å | 1.49Å | |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C29 | doub | 1.37Å | 1.49Å | |
| N03 | C02 | sing | 1.34Å | 1.45Å | |
| C29 | C02 | sing | 1.47Å | 1.49Å | |
| C29 | O30 | sing | 1.36Å | 1.40Å | |
| C02 | O01 | doub | 1.22Å | 1.18Å | |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C23 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C27 | H14 | sing | 1.08Å | 1.08Å | |
| N16 | H15 | sing | 0.97Å | 1.00Å | |
| N19 | H16 | sing | 0.97Å | 1.00Å | |
| O30 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | N25 | C24 | 121.7° | 121.7° |
| N25 | C26 | C27 | 120.5° | 120.8° |
| N25 | C26 | H7 | 119.7° | 119.6° |
| N25 | C24 | C23 | 121.2° | 120.7° |
| N25 | C24 | H6 | 119.4° | 119.6° |
| C26 | C27 | C22 | 119.3° | 119.2° |
| C27 | C26 | H7 | 119.7° | 119.6° |
| C26 | C27 | H14 | 120.3° | 120.4° |
| C24 | C23 | C22 | 118.5° | 119.2° |
| C24 | C23 | H5 | 120.8° | 120.3° |
| C23 | C24 | H6 | 119.4° | 119.7° |
| C27 | C22 | C23 | 118.8° | 118.4° |
| C27 | C22 | C21 | 120.0° | 120.8° |
| C22 | C27 | H14 | 120.4° | 120.4° |
| C23 | C22 | C21 | 121.2° | 120.8° |
| C22 | C23 | H5 | 120.8° | 120.5° |
| F09 | C08 | F10 | 108.7° | 109.5° |
| F09 | C08 | F11 | 108.5° | 109.5° |
| F09 | C08 | C07 | 108.6° | 109.4° |
| C22 | C21 | C20 | 112.0° | 109.5° |
| C22 | C21 | H3 | 108.8° | 109.5° |
| C22 | C21 | H4 | 108.8° | 109.4° |
| F10 | C08 | F11 | 109.8° | 109.5° |
| F10 | C08 | C07 | 110.6° | 109.5° |
| F11 | C08 | C07 | 110.6° | 109.4° |
| C08 | C07 | C12 | 118.5° | 120.0° |
| C08 | C07 | C06 | 122.3° | 119.9° |
| C21 | C20 | N19 | 109.8° | 109.5° |
| C21 | C20 | H1 | 109.4° | 109.5° |
| C21 | C20 | H2 | 109.4° | 109.4° |
| C20 | C21 | H3 | 108.8° | 109.5° |
| C20 | C21 | H4 | 108.8° | 109.5° |
| C07 | C12 | C13 | 120.6° | 120.0° |
| C12 | C07 | C06 | 119.2° | 120.0° |
| C07 | C12 | H10 | 119.7° | 120.0° |
| C12 | C13 | C14 | 120.1° | 120.0° |
| C13 | C12 | H10 | 119.7° | 120.0° |
| C12 | C13 | H11 | 119.9° | 119.9° |
| C07 | C06 | C05 | 121.6° | 120.0° |
| C07 | C06 | C15 | 120.0° | 119.9° |
| C20 | N19 | C18 | 119.1° | 120.0° |
| N19 | C20 | H1 | 109.4° | 109.5° |
| N19 | C20 | H2 | 109.4° | 109.5° |
| C20 | N19 | H16 | 120.4° | 120.0° |
| N19 | C18 | C17 | 120.8° | 120.0° |
| N19 | C18 | O28 | 119.5° | 120.0° |
| C18 | N19 | H16 | 120.4° | 120.0° |
| C13 | C14 | C15 | 119.7° | 120.0° |
| C14 | C13 | H11 | 120.0° | 120.1° |
| C13 | C14 | H12 | 120.2° | 120.0° |
| C05 | C06 | C15 | 118.4° | 120.0° |
| C06 | C05 | C04 | 108.2° | 109.5° |
| C06 | C05 | H8 | 109.8° | 109.5° |
| C06 | C05 | H9 | 109.8° | 109.4° |
| C06 | C15 | C14 | 120.4° | 120.0° |
| C06 | C15 | H13 | 119.8° | 119.9° |
| C05 | C04 | N16 | 119.7° | 118.7° |
| C05 | C04 | N03 | 119.8° | 118.7° |
| C04 | C05 | H8 | 109.8° | 109.5° |
| C04 | C05 | H9 | 109.8° | 109.4° |
| C04 | N16 | C17 | 119.8° | 121.2° |
| N16 | C04 | N03 | 120.4° | 122.6° |
| C04 | N16 | H15 | 120.1° | 119.5° |
| N16 | C17 | C18 | 121.4° | 120.6° |
| N16 | C17 | C29 | 120.0° | 118.8° |
| C17 | N16 | H15 | 120.1° | 119.4° |
| C17 | C18 | O28 | 119.6° | 120.0° |
| C18 | C17 | C29 | 118.7° | 120.6° |
| C04 | N03 | C02 | 119.8° | 121.0° |
| C15 | C14 | H12 | 120.2° | 120.0° |
| C14 | C15 | H13 | 119.8° | 120.0° |
| C17 | C29 | C02 | 120.1° | 117.8° |
| C17 | C29 | O30 | 119.0° | 121.1° |
| N03 | C02 | C29 | 119.9° | 118.7° |
| N03 | C02 | O01 | 119.8° | 120.6° |
| C02 | C29 | O30 | 120.9° | 121.1° |
| C29 | C02 | O01 | 120.2° | 120.6° |
| C29 | O30 | H17 | 109.5° | 114.0° |
| H1 | C20 | H2 | 109.5° | 109.5° |
| H3 | C21 | H4 | 109.5° | 109.4° |
| H8 | C05 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N25 | C26 | C27 | H7 | 180.0° | 180.0° |
| C26 | N25 | C24 | C23 | 0.2° | 0.2° |
| N25 | C26 | C27 | C22 | 0.1° | 0.0° |
| C26 | N25 | C24 | H6 | 179.8° | 179.8° |
| N25 | C26 | C27 | H14 | 179.9° | 180.0° |
| C24 | N25 | C26 | C27 | 0.1° | 0.2° |
| N25 | C24 | C23 | H6 | 180.0° | 180.0° |
| N25 | C24 | C23 | C22 | 0.0° | 0.1° |
| N25 | C24 | C23 | H5 | 180.0° | 180.0° |
| C24 | N25 | C26 | H7 | 179.9° | 179.7° |
| C26 | C27 | C22 | H14 | 180.0° | 180.0° |
| C26 | C27 | C22 | C23 | 0.2° | 0.3° |
| C26 | C27 | C22 | C21 | 179.8° | 180.0° |
| C24 | C23 | C22 | C27 | 0.2° | 0.3° |
| C24 | C23 | C22 | H5 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 179.7° | 180.0° |
| C27 | C22 | C23 | C21 | 179.6° | 179.7° |
| C27 | C22 | C21 | C20 | 142.5° | 90.3° |
| C27 | C22 | C21 | H3 | 22.1° | 149.7° |
| C27 | C22 | C21 | H4 | 97.1° | 29.7° |
| C27 | C22 | C23 | H5 | 179.8° | 179.8° |
| C22 | C27 | C26 | H7 | 179.9° | 180.0° |
| C23 | C22 | C21 | C20 | 37.1° | 90.0° |
| C23 | C22 | C21 | H3 | 157.5° | 30.0° |
| C23 | C22 | C21 | H4 | 83.3° | 150.0° |
| C22 | C23 | C24 | H6 | 180.0° | 180.0° |
| C23 | C22 | C27 | H14 | 179.8° | 179.8° |
| F09 | C08 | F10 | F11 | 118.5° | 120.0° |
| F09 | C08 | F10 | C07 | 119.2° | 120.0° |
| F09 | C08 | F11 | C07 | 119.1° | 119.9° |
| F09 | C08 | C07 | C12 | 0.9° | 120.0° |
| F09 | C08 | C07 | C06 | 179.0° | 60.1° |
| C22 | C21 | C20 | H3 | 120.4° | 120.1° |
| C22 | C21 | C20 | H4 | 120.4° | 120.0° |
| C22 | C21 | C20 | N19 | 53.8° | 179.9° |
| C22 | C21 | C20 | H1 | 173.8° | 60.0° |
| C22 | C21 | C20 | H2 | 66.3° | 60.0° |
| C22 | C21 | H3 | H4 | 118.9° | 120.0° |
| C21 | C22 | C23 | H5 | 0.3° | 0.1° |
| C21 | C22 | C27 | H14 | 0.2° | 0.1° |
| F10 | C08 | F11 | C07 | 122.3° | 120.0° |
| F10 | C08 | C07 | C12 | 118.2° | 120.0° |
| F10 | C08 | C07 | C06 | 61.8° | 59.9° |
| F11 | C08 | C07 | C12 | 119.9° | 0.1° |
| F11 | C08 | C07 | C06 | 60.0° | 180.0° |
| C08 | C07 | C12 | C06 | 179.9° | 179.9° |
| C08 | C07 | C12 | C13 | 179.9° | 180.0° |
| C08 | C07 | C06 | C05 | 0.0° | 0.1° |
| C08 | C07 | C06 | C15 | 179.9° | 179.7° |
| C08 | C07 | C12 | H10 | 0.1° | 0.0° |
| C21 | C20 | N19 | H1 | 120.0° | 120.0° |
| C21 | C20 | N19 | H2 | 120.1° | 119.9° |
| C21 | C20 | N19 | C18 | 180.0° | 180.0° |
| C21 | C20 | H1 | H2 | 119.9° | 119.9° |
| C20 | C21 | H3 | H4 | 118.8° | 120.0° |
| C21 | C20 | N19 | H16 | 0.0° | 0.0° |
| C07 | C12 | C13 | H10 | 180.0° | 180.0° |
| C07 | C12 | C13 | C14 | 0.0° | 0.0° |
| C12 | C07 | C06 | C05 | 180.0° | 180.0° |
| C12 | C07 | C06 | C15 | 0.1° | 0.2° |
| C07 | C12 | C13 | H11 | 180.0° | 180.0° |
| C13 | C12 | C07 | C06 | 0.0° | 0.1° |
| C12 | C13 | C14 | H11 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.3° |
| C12 | C13 | C14 | H12 | 179.9° | 180.0° |
| C07 | C06 | C05 | C15 | 179.9° | 179.8° |
| C07 | C06 | C05 | C04 | 106.4° | 85.3° |
| C07 | C06 | C15 | C14 | 0.1° | 0.5° |
| C07 | C06 | C05 | H8 | 13.4° | 34.8° |
| C07 | C06 | C05 | H9 | 133.8° | 154.8° |
| C06 | C07 | C12 | H10 | 180.0° | 179.9° |
| C07 | C06 | C15 | H13 | 179.9° | 179.8° |
| C20 | N19 | C18 | H16 | 180.0° | 179.9° |
| C20 | N19 | C18 | C17 | 179.4° | 174.9° |
| C20 | N19 | C18 | O28 | 0.2° | 5.2° |
| N19 | C20 | H1 | H2 | 119.9° | 120.0° |
| N19 | C20 | C21 | H3 | 66.6° | 60.0° |
| N19 | C20 | C21 | H4 | 174.2° | 60.0° |
| N19 | C18 | C17 | N16 | 0.8° | 5.1° |
| N19 | C18 | C17 | O28 | 179.2° | 179.9° |
| N19 | C18 | C17 | C29 | 178.9° | 174.8° |
| C18 | N19 | C20 | H1 | 60.0° | 59.9° |
| C18 | N19 | C20 | H2 | 59.9° | 60.1° |
| C13 | C14 | C15 | C06 | 0.1° | 0.5° |
| C13 | C14 | C15 | H12 | 180.0° | 179.7° |
| C14 | C13 | C12 | H10 | 180.0° | 180.0° |
| C13 | C14 | C15 | H13 | 179.9° | 179.7° |
| C06 | C05 | C04 | H8 | 119.8° | 120.0° |
| C06 | C05 | C04 | H9 | 119.8° | 119.9° |
| C06 | C05 | C04 | N16 | 47.6° | 179.5° |
| C06 | C05 | C04 | N03 | 132.3° | 0.0° |
| C05 | C06 | C15 | C14 | 180.0° | 179.7° |
| C06 | C05 | H8 | H9 | 120.6° | 120.0° |
| C05 | C06 | C15 | H13 | 0.0° | 0.1° |
| C15 | C06 | C05 | C04 | 73.5° | 94.9° |
| C06 | C15 | C14 | H13 | 180.0° | 179.8° |
| C15 | C06 | C05 | H8 | 166.7° | 145.0° |
| C15 | C06 | C05 | H9 | 46.3° | 25.0° |
| C06 | C15 | C14 | H12 | 179.9° | 179.7° |
| C05 | C04 | N16 | N03 | 179.9° | 179.5° |
| C05 | C04 | N16 | C17 | 179.9° | 179.8° |
| C05 | C04 | N03 | C02 | 179.9° | 179.9° |
| C04 | C05 | H8 | H9 | 120.6° | 120.0° |
| C05 | C04 | N16 | H15 | 0.2° | 0.5° |
| C04 | N16 | C17 | H15 | 180.0° | 179.2° |
| C04 | N16 | C17 | C18 | 179.8° | 179.5° |
| C04 | N16 | C17 | C29 | 0.1° | 0.5° |
| N16 | C04 | N03 | C02 | 0.0° | 0.4° |
| N16 | C04 | C05 | H8 | 72.2° | 59.5° |
| N16 | C04 | C05 | H9 | 167.4° | 60.6° |
| N16 | C17 | C18 | C29 | 179.7° | 180.0° |
| N16 | C17 | C18 | O28 | 180.0° | 174.8° |
| C17 | N16 | C04 | N03 | 0.0° | 0.7° |
| N16 | C17 | C29 | C02 | 0.0° | 0.0° |
| N16 | C17 | C29 | O30 | 179.9° | 179.8° |
| C18 | C17 | C29 | C02 | 179.8° | 180.0° |
| C18 | C17 | C29 | O30 | 0.2° | 0.3° |
| C18 | C17 | N16 | H15 | 0.2° | 0.2° |
| C17 | C18 | N19 | H16 | 0.6° | 5.0° |
| O28 | C18 | C17 | C29 | 0.3° | 5.3° |
| O28 | C18 | N19 | H16 | 179.8° | 174.9° |
| C04 | N03 | C02 | C29 | 0.0° | 0.1° |
| C04 | N03 | C02 | O01 | 180.0° | 180.0° |
| N03 | C04 | C05 | H8 | 107.9° | 120.0° |
| N03 | C04 | C05 | H9 | 12.5° | 119.9° |
| N03 | C04 | N16 | H15 | 180.0° | 180.0° |
| C15 | C14 | C13 | H11 | 180.0° | 179.7° |
| C17 | C29 | C02 | N03 | 0.0° | 0.3° |
| C17 | C29 | C02 | O30 | 179.9° | 179.8° |
| C17 | C29 | C02 | O01 | 180.0° | 179.8° |
| C29 | C17 | N16 | H15 | 179.9° | 179.7° |
| C17 | C29 | O30 | H17 | 0.0° | 179.7° |
| N03 | C02 | C29 | O01 | 179.9° | 179.9° |
| N03 | C02 | C29 | O30 | 179.9° | 180.0° |
| C02 | C29 | O30 | H17 | 179.9° | 0.0° |
| O30 | C29 | C02 | O01 | 0.0° | 0.1° |
| H1 | C20 | C21 | H3 | 53.5° | 60.1° |
| H1 | C20 | C21 | H4 | 65.8° | 180.0° |
| H1 | C20 | N19 | H16 | 120.0° | 120.0° |
| H2 | C20 | C21 | H3 | 173.4° | 180.0° |
| H2 | C20 | C21 | H4 | 54.1° | 60.0° |
| H2 | C20 | N19 | H16 | 120.1° | 120.0° |
| H5 | C23 | C24 | H6 | 0.0° | 0.0° |
| H7 | C26 | C27 | H14 | 0.1° | 0.1° |
| H10 | C12 | C13 | H11 | 0.0° | 0.0° |
| H11 | C13 | C14 | H12 | 0.1° | 0.0° |
| H12 | C14 | C15 | H13 | 0.1° | 0.0° |
