UK7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C10 | sing | 1.43Å | 1.40Å | |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C09 | N08 | sing | 1.46Å | 1.46Å | |
| N18 | C17 | sing | 1.47Å | 1.46Å | |
| N08 | C07 | sing | 1.36Å | 1.33Å | Aromatic |
| N08 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C07 | C06 | doub | 1.35Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C19 | doub | 1.39Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.41Å | 1.37Å | Aromatic |
| C19 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | C13 | sing | 1.47Å | 1.41Å | Aromatic |
| C06 | C05 | sing | 1.48Å | 1.53Å | |
| C13 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C16 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C05 | C04 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C03 | doub | 1.40Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.48Å | 1.51Å | |
| C02 | S23 | doub | 1.71Å | 1.61Å | |
| C02 | N01 | sing | 1.35Å | 1.44Å | |
| C04 | H1 | sing | 1.08Å | 1.08Å | |
| C07 | H2 | sing | 1.08Å | 1.08Å | |
| C09 | H3 | sing | 1.09Å | 1.10Å | |
| C09 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| N01 | H15 | sing | 0.97Å | 1.00Å | |
| N01 | H16 | sing | 0.97Å | 1.00Å | |
| N18 | H17 | sing | 1.01Å | 1.00Å | |
| N18 | H18 | sing | 1.01Å | 1.00Å | |
| O11 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C10 | C09 | 107.6° | 109.5° |
| O11 | C10 | H5 | 110.0° | 109.4° |
| O11 | C10 | H6 | 109.9° | 109.5° |
| C10 | O11 | H20 | 109.5° | 114.0° |
| C10 | C09 | N08 | 108.8° | 109.5° |
| C10 | C09 | H3 | 109.6° | 109.5° |
| C10 | C09 | H4 | 109.6° | 109.4° |
| C09 | C10 | H5 | 109.9° | 109.5° |
| C09 | C10 | H6 | 109.9° | 109.5° |
| C09 | N08 | C07 | 124.9° | 125.0° |
| C09 | N08 | C12 | 125.4° | 124.9° |
| N08 | C09 | H3 | 109.6° | 109.5° |
| N08 | C09 | H4 | 109.6° | 109.5° |
| N18 | C17 | C16 | 109.0° | 109.5° |
| N18 | C17 | H9 | 109.6° | 109.5° |
| N18 | C17 | H10 | 109.6° | 109.5° |
| C17 | N18 | H17 | 109.5° | 111.0° |
| C17 | N18 | H18 | 109.4° | 111.0° |
| C07 | N08 | C12 | 109.7° | 110.1° |
| N08 | C07 | C06 | 108.2° | 109.8° |
| N08 | C07 | H2 | 125.9° | 125.1° |
| N08 | C12 | C19 | 131.3° | 133.2° |
| N08 | C12 | C13 | 108.8° | 107.3° |
| C07 | C06 | C13 | 107.8° | 106.7° |
| C07 | C06 | C05 | 123.4° | 126.6° |
| C06 | C07 | H2 | 125.9° | 125.1° |
| C21 | C20 | C05 | 119.9° | 120.2° |
| C20 | C21 | C22 | 120.4° | 120.2° |
| C21 | C20 | H12 | 120.1° | 119.9° |
| C20 | C21 | H13 | 119.8° | 119.9° |
| C20 | C05 | C06 | 118.5° | 120.1° |
| C20 | C05 | C04 | 119.8° | 119.9° |
| C05 | C20 | H12 | 120.1° | 119.9° |
| C19 | C12 | C13 | 119.9° | 119.4° |
| C12 | C19 | C16 | 120.2° | 119.9° |
| C12 | C19 | H11 | 119.9° | 120.0° |
| C12 | C13 | C06 | 105.6° | 106.0° |
| C12 | C13 | C14 | 119.7° | 120.0° |
| C19 | C16 | C17 | 119.7° | 119.7° |
| C19 | C16 | C15 | 120.3° | 120.7° |
| C16 | C19 | H11 | 119.9° | 120.1° |
| C21 | C22 | C03 | 119.5° | 120.1° |
| C22 | C21 | H13 | 119.8° | 119.8° |
| C21 | C22 | H14 | 120.2° | 119.9° |
| C13 | C06 | C05 | 128.8° | 126.6° |
| C06 | C13 | C14 | 134.7° | 134.0° |
| C06 | C05 | C04 | 121.7° | 120.0° |
| C13 | C14 | C15 | 120.1° | 119.7° |
| C13 | C14 | H7 | 120.0° | 120.2° |
| C17 | C16 | C15 | 120.0° | 119.7° |
| C16 | C17 | H9 | 109.6° | 109.4° |
| C16 | C17 | H10 | 109.6° | 109.5° |
| C16 | C15 | C14 | 119.7° | 120.3° |
| C16 | C15 | H8 | 120.2° | 119.8° |
| C05 | C04 | C03 | 120.0° | 119.7° |
| C05 | C04 | H1 | 120.0° | 120.2° |
| C15 | C14 | H7 | 119.9° | 120.2° |
| C14 | C15 | H8 | 120.1° | 119.9° |
| C22 | C03 | C04 | 120.3° | 119.8° |
| C22 | C03 | C02 | 120.3° | 120.1° |
| C03 | C22 | H14 | 120.2° | 120.0° |
| C04 | C03 | C02 | 119.4° | 120.1° |
| C03 | C04 | H1 | 120.0° | 120.1° |
| C03 | C02 | S23 | 122.6° | 120.0° |
| C03 | C02 | N01 | 117.3° | 120.0° |
| S23 | C02 | N01 | 120.1° | 120.0° |
| C02 | N01 | H15 | 120.0° | 120.0° |
| C02 | N01 | H16 | 120.0° | 120.0° |
| H3 | C09 | H4 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.5° | 109.5° |
| H9 | C17 | H10 | 109.5° | 109.5° |
| H15 | N01 | H16 | 120.0° | 120.1° |
| H17 | N18 | H18 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C10 | C09 | H5 | 119.7° | 119.9° |
| O11 | C10 | C09 | H6 | 119.7° | 120.0° |
| O11 | C10 | C09 | N08 | 77.8° | 180.0° |
| O11 | C10 | C09 | H3 | 162.3° | 60.0° |
| O11 | C10 | C09 | H4 | 42.1° | 60.0° |
| O11 | C10 | H5 | H6 | 120.9° | 120.0° |
| C10 | C09 | N08 | H3 | 119.9° | 120.0° |
| C10 | C09 | N08 | H4 | 119.9° | 119.9° |
| C10 | C09 | N08 | C07 | 58.3° | 95.0° |
| C10 | C09 | N08 | C12 | 121.7° | 84.7° |
| C10 | C09 | H3 | H4 | 120.3° | 119.9° |
| C09 | C10 | H5 | H6 | 120.8° | 120.1° |
| C09 | C10 | O11 | H20 | 180.0° | 180.0° |
| C09 | N08 | C07 | C12 | 180.0° | 179.7° |
| C09 | N08 | C07 | C06 | 179.4° | 180.0° |
| C09 | N08 | C12 | C19 | 0.4° | 0.4° |
| C09 | N08 | C12 | C13 | 179.3° | 179.8° |
| C09 | N08 | C07 | H2 | 0.6° | 0.0° |
| N08 | C09 | H3 | H4 | 120.3° | 120.0° |
| N08 | C09 | C10 | H5 | 41.9° | 60.1° |
| N08 | C09 | C10 | H6 | 162.5° | 59.9° |
| N18 | C17 | C16 | C19 | 50.8° | 90.0° |
| N18 | C17 | C16 | H9 | 119.9° | 120.0° |
| N18 | C17 | C16 | H10 | 119.9° | 120.0° |
| N18 | C17 | C16 | C15 | 128.7° | 90.0° |
| N18 | C17 | H9 | H10 | 120.2° | 120.0° |
| C17 | N18 | H17 | H18 | 120.0° | 124.0° |
| N08 | C07 | C06 | H2 | 180.0° | 180.0° |
| C07 | N08 | C12 | C19 | 179.6° | 179.9° |
| C07 | N08 | C12 | C13 | 0.7° | 0.5° |
| N08 | C07 | C06 | C13 | 0.2° | 0.0° |
| N08 | C07 | C06 | C05 | 179.7° | 179.8° |
| C07 | N08 | C09 | H3 | 61.6° | 145.0° |
| C07 | N08 | C09 | H4 | 178.2° | 24.9° |
| C12 | N08 | C07 | C06 | 0.6° | 0.3° |
| N08 | C12 | C19 | C13 | 178.8° | 179.4° |
| N08 | C12 | C19 | C16 | 179.7° | 179.4° |
| N08 | C12 | C13 | C06 | 0.5° | 0.4° |
| N08 | C12 | C13 | C14 | 179.9° | 179.6° |
| C12 | N08 | C07 | H2 | 179.4° | 179.6° |
| C12 | N08 | C09 | H3 | 118.4° | 35.4° |
| C12 | N08 | C09 | H4 | 1.8° | 155.4° |
| N08 | C12 | C19 | H11 | 0.3° | 0.6° |
| C07 | C06 | C05 | C20 | 37.1° | 130.3° |
| C07 | C06 | C13 | C12 | 0.2° | 0.3° |
| C07 | C06 | C13 | C05 | 179.4° | 179.8° |
| C07 | C06 | C13 | C14 | 179.4° | 179.8° |
| C07 | C06 | C05 | C04 | 142.8° | 49.8° |
| C21 | C20 | C05 | H12 | 180.0° | 179.8° |
| C20 | C21 | C22 | H13 | 180.0° | 179.8° |
| C21 | C20 | C05 | C06 | 179.0° | 179.9° |
| C21 | C20 | C05 | C04 | 0.9° | 0.0° |
| C20 | C21 | C22 | C03 | 0.8° | 0.5° |
| C20 | C21 | C22 | H14 | 179.2° | 180.0° |
| C05 | C20 | C21 | C22 | 1.2° | 0.2° |
| C20 | C05 | C06 | C13 | 142.2° | 49.9° |
| C20 | C05 | C06 | C04 | 179.9° | 179.9° |
| C20 | C05 | C04 | C03 | 0.2° | 0.0° |
| C20 | C05 | C04 | H1 | 179.8° | 180.0° |
| C05 | C20 | C21 | H13 | 178.8° | 180.0° |
| C12 | C19 | C16 | H11 | 180.0° | 180.0° |
| C19 | C12 | C13 | C06 | 179.6° | 180.0° |
| C19 | C12 | C13 | C14 | 1.0° | 0.0° |
| C12 | C19 | C16 | C17 | 179.4° | 180.0° |
| C12 | C19 | C16 | C15 | 0.2° | 0.1° |
| C13 | C12 | C19 | C16 | 0.9° | 0.0° |
| C12 | C13 | C06 | C14 | 179.2° | 180.0° |
| C12 | C13 | C06 | C05 | 179.2° | 179.9° |
| C12 | C13 | C14 | C15 | 0.5° | 0.0° |
| C12 | C13 | C14 | H7 | 179.5° | 180.0° |
| C13 | C12 | C19 | H11 | 179.1° | 180.0° |
| C19 | C16 | C17 | C15 | 179.6° | 179.9° |
| C19 | C16 | C15 | C14 | 0.4° | 0.1° |
| C19 | C16 | C15 | H8 | 179.6° | 179.9° |
| C19 | C16 | C17 | H9 | 69.1° | 30.0° |
| C19 | C16 | C17 | H10 | 170.7° | 150.0° |
| C21 | C22 | C03 | H14 | 180.0° | 179.5° |
| C21 | C22 | C03 | C04 | 0.0° | 0.6° |
| C21 | C22 | C03 | C02 | 179.2° | 179.8° |
| C22 | C21 | C20 | H12 | 178.8° | 180.0° |
| C13 | C06 | C05 | C04 | 37.9° | 130.0° |
| C06 | C13 | C14 | C15 | 179.6° | 180.0° |
| C13 | C06 | C07 | H2 | 179.8° | 179.9° |
| C06 | C13 | C14 | H7 | 0.4° | 0.0° |
| C05 | C06 | C13 | C14 | 0.0° | 0.0° |
| C06 | C05 | C04 | C03 | 179.7° | 180.0° |
| C06 | C05 | C04 | H1 | 0.3° | 0.1° |
| C05 | C06 | C07 | H2 | 0.3° | 0.3° |
| C06 | C05 | C20 | H12 | 1.0° | 0.3° |
| C13 | C14 | C15 | C16 | 0.3° | 0.0° |
| C13 | C14 | C15 | H7 | 180.0° | 180.0° |
| C13 | C14 | C15 | H8 | 179.7° | 180.0° |
| C17 | C16 | C15 | C14 | 180.0° | 180.0° |
| C17 | C16 | C15 | H8 | 0.0° | 0.0° |
| C16 | C17 | H9 | H10 | 120.2° | 120.0° |
| C17 | C16 | C19 | H11 | 0.6° | 0.0° |
| C16 | C17 | N18 | H17 | 180.0° | 180.0° |
| C16 | C17 | N18 | H18 | 60.0° | 56.1° |
| C16 | C15 | C14 | H8 | 180.0° | 180.0° |
| C16 | C15 | C14 | H7 | 179.7° | 180.0° |
| C15 | C16 | C17 | H9 | 111.4° | 150.0° |
| C15 | C16 | C17 | H10 | 8.8° | 30.0° |
| C15 | C16 | C19 | H11 | 179.8° | 179.9° |
| C05 | C04 | C03 | C22 | 0.2° | 0.3° |
| C05 | C04 | C03 | H1 | 180.0° | 179.9° |
| C05 | C04 | C03 | C02 | 179.5° | 180.0° |
| C04 | C05 | C20 | H12 | 179.1° | 179.8° |
| C22 | C03 | C04 | C02 | 179.3° | 179.7° |
| C22 | C03 | C02 | S23 | 15.7° | 145.3° |
| C22 | C03 | C02 | N01 | 163.0° | 34.9° |
| C22 | C03 | C04 | H1 | 179.8° | 179.7° |
| C03 | C22 | C21 | H13 | 179.2° | 179.7° |
| C04 | C03 | C02 | S23 | 165.0° | 35.1° |
| C04 | C03 | C02 | N01 | 16.3° | 144.7° |
| C04 | C03 | C22 | H14 | 179.9° | 180.0° |
| C03 | C02 | S23 | N01 | 178.6° | 179.8° |
| C02 | C03 | C04 | H1 | 0.5° | 0.1° |
| C02 | C03 | C22 | H14 | 0.8° | 0.3° |
| C03 | C02 | N01 | H15 | 178.7° | 179.8° |
| C03 | C02 | N01 | H16 | 1.3° | 0.2° |
| S23 | C02 | N01 | H15 | 0.0° | 0.1° |
| S23 | C02 | N01 | H16 | 180.0° | 180.0° |
| C02 | N01 | H15 | H16 | 180.0° | 180.0° |
| H3 | C09 | C10 | H5 | 78.0° | 60.0° |
| H3 | C09 | C10 | H6 | 42.6° | 180.0° |
| H4 | C09 | C10 | H5 | 161.8° | 180.0° |
| H4 | C09 | C10 | H6 | 77.6° | 60.0° |
| H5 | C10 | O11 | H20 | 60.3° | 60.0° |
| H6 | C10 | O11 | H20 | 60.3° | 60.0° |
| H7 | C14 | C15 | H8 | 0.3° | 0.0° |
| H9 | C17 | N18 | H17 | 60.1° | 60.0° |
| H9 | C17 | N18 | H18 | 59.9° | 176.0° |
| H10 | C17 | N18 | H17 | 60.1° | 60.0° |
| H10 | C17 | N18 | H18 | 179.9° | 64.0° |
| H12 | C20 | C21 | H13 | 1.2° | 0.2° |
| H13 | C21 | C22 | H14 | 0.8° | 0.2° |
