UL8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C43 | N42 | sing | 1.47Å | 1.46Å | |
| N47 | N42 | sing | 1.29Å | 1.35Å | Aromatic |
| N47 | N48 | doub | 1.29Å | 1.31Å | Aromatic |
| N42 | C40 | sing | 1.35Å | 1.34Å | Aromatic |
| N48 | C39 | sing | 1.34Å | 1.37Å | Aromatic |
| C40 | C39 | doub | 1.37Å | 1.37Å | Aromatic |
| C39 | C36 | sing | 1.48Å | 1.48Å | |
| C36 | C37 | doub | 1.39Å | 1.40Å | Aromatic |
| C36 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C37 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| O18 | C17 | sing | 1.36Å | 1.38Å | |
| O18 | C19 | sing | 1.43Å | 1.45Å | |
| C21 | C19 | sing | 1.53Å | 1.51Å | |
| C17 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C01 | C05 | sing | 1.53Å | 1.49Å | |
| C12 | C10 | sing | 1.48Å | 1.50Å | |
| C12 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | C25 | sing | 1.51Å | 1.51Å | |
| N08 | C10 | sing | 1.35Å | 1.34Å | |
| N08 | C05 | sing | 1.46Å | 1.47Å | |
| C10 | O11 | doub | 1.22Å | 1.23Å | |
| C15 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.08Å | 1.08Å | |
| C28 | H7 | sing | 1.08Å | 1.08Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| N08 | H13 | sing | 0.97Å | 1.00Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C30 | H15 | sing | 1.08Å | 1.08Å | |
| C32 | H16 | sing | 1.08Å | 1.08Å | |
| C34 | H17 | sing | 1.08Å | 1.08Å | |
| C37 | H18 | sing | 1.08Å | 1.08Å | |
| C40 | H19 | sing | 1.08Å | 1.08Å | |
| C43 | H20 | sing | 1.09Å | 1.10Å | |
| C43 | H21 | sing | 1.09Å | 1.10Å | |
| C43 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C43 | N42 | N47 | 120.8° | 125.7° |
| C43 | N42 | C40 | 128.0° | 125.8° |
| N42 | C43 | H20 | 109.5° | 109.5° |
| N42 | C43 | H21 | 109.5° | 109.5° |
| N42 | C43 | H22 | 109.4° | 109.4° |
| N42 | N47 | N48 | 106.7° | 110.5° |
| N47 | N42 | C40 | 111.2° | 108.5° |
| N47 | N48 | C39 | 109.2° | 108.8° |
| N42 | C40 | C39 | 105.2° | 106.1° |
| N42 | C40 | H19 | 127.4° | 127.0° |
| N48 | C39 | C40 | 107.8° | 106.2° |
| N48 | C39 | C36 | 121.0° | 126.9° |
| C40 | C39 | C36 | 131.2° | 126.9° |
| C39 | C40 | H19 | 127.4° | 126.9° |
| C39 | C36 | C37 | 119.1° | 120.1° |
| C39 | C36 | C17 | 122.4° | 120.0° |
| C37 | C36 | C17 | 118.5° | 119.9° |
| C36 | C37 | C12 | 120.8° | 119.8° |
| C36 | C37 | H18 | 119.6° | 120.1° |
| C36 | C17 | O18 | 115.7° | 120.0° |
| C36 | C17 | C15 | 120.8° | 120.0° |
| C37 | C12 | C10 | 124.9° | 120.0° |
| C37 | C12 | C13 | 119.2° | 119.9° |
| C12 | C37 | H18 | 119.6° | 120.1° |
| C17 | O18 | C19 | 119.3° | 117.0° |
| O18 | C17 | C15 | 123.5° | 119.9° |
| O18 | C19 | C21 | 105.4° | 109.5° |
| O18 | C19 | C25 | 111.4° | 109.5° |
| O18 | C19 | H14 | 110.0° | 109.4° |
| C21 | C19 | C25 | 111.7° | 109.5° |
| C19 | C21 | H3 | 109.5° | 109.5° |
| C19 | C21 | H4 | 109.4° | 109.5° |
| C19 | C21 | H5 | 109.5° | 109.5° |
| C21 | C19 | H14 | 109.1° | 109.5° |
| C17 | C15 | C13 | 119.8° | 120.3° |
| C17 | C15 | H2 | 120.1° | 119.9° |
| C01 | C05 | N08 | 112.7° | 109.5° |
| C05 | C01 | H8 | 109.5° | 109.4° |
| C05 | C01 | H9 | 109.5° | 109.5° |
| C05 | C01 | H10 | 109.5° | 109.5° |
| C01 | C05 | H11 | 108.7° | 109.5° |
| C01 | C05 | H12 | 108.6° | 109.4° |
| C10 | C12 | C13 | 116.0° | 120.0° |
| C12 | C10 | N08 | 117.7° | 120.0° |
| C12 | C10 | O11 | 120.5° | 120.0° |
| C12 | C13 | C15 | 121.0° | 120.1° |
| C12 | C13 | H1 | 119.5° | 120.0° |
| C19 | C25 | C34 | 120.7° | 120.0° |
| C19 | C25 | C26 | 120.6° | 120.0° |
| C25 | C19 | H14 | 109.1° | 109.5° |
| C10 | N08 | C05 | 122.4° | 120.0° |
| N08 | C10 | O11 | 121.8° | 120.0° |
| C10 | N08 | H13 | 118.8° | 120.0° |
| N08 | C05 | H11 | 108.7° | 109.5° |
| N08 | C05 | H12 | 108.7° | 109.5° |
| C05 | N08 | H13 | 118.8° | 120.0° |
| C15 | C13 | H1 | 119.5° | 119.9° |
| C13 | C15 | H2 | 120.1° | 119.9° |
| C25 | C34 | C32 | 120.7° | 120.0° |
| C34 | C25 | C26 | 118.7° | 120.0° |
| C25 | C34 | H17 | 119.6° | 120.0° |
| C34 | C32 | C30 | 120.2° | 120.0° |
| C34 | C32 | H16 | 119.9° | 120.0° |
| C32 | C34 | H17 | 119.7° | 120.0° |
| C25 | C26 | C28 | 120.6° | 120.0° |
| C25 | C26 | H6 | 119.7° | 119.9° |
| C32 | C30 | C28 | 119.6° | 120.0° |
| C32 | C30 | H15 | 120.2° | 120.0° |
| C30 | C32 | H16 | 119.9° | 120.0° |
| C26 | C28 | C30 | 120.2° | 120.0° |
| C28 | C26 | H6 | 119.7° | 120.0° |
| C26 | C28 | H7 | 119.9° | 120.0° |
| C30 | C28 | H7 | 119.9° | 120.0° |
| C28 | C30 | H15 | 120.2° | 120.0° |
| H3 | C21 | H4 | 109.5° | 109.4° |
| H3 | C21 | H5 | 109.5° | 109.5° |
| H4 | C21 | H5 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.4° | 109.5° |
| H11 | C05 | H12 | 109.5° | 109.5° |
| H20 | C43 | H21 | 109.4° | 109.5° |
| H20 | C43 | H22 | 109.5° | 109.5° |
| H21 | C43 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C43 | N42 | N47 | C40 | 179.3° | 180.0° |
| C43 | N42 | N47 | N48 | 180.0° | 179.7° |
| C43 | N42 | C40 | C39 | 179.6° | 180.0° |
| C43 | N42 | C40 | H19 | 0.4° | 0.1° |
| N42 | C43 | H20 | H21 | 120.0° | 120.0° |
| N42 | C43 | H20 | H22 | 120.0° | 119.9° |
| N42 | C43 | H21 | H22 | 120.0° | 119.9° |
| N42 | N47 | N48 | C39 | 0.7° | 0.5° |
| N47 | N42 | C40 | C39 | 0.4° | 0.0° |
| N47 | N42 | C40 | H19 | 179.6° | 179.9° |
| N47 | N42 | C43 | H20 | 0.0° | 90.0° |
| N47 | N42 | C43 | H21 | 120.0° | 30.0° |
| N47 | N42 | C43 | H22 | 120.0° | 150.0° |
| N48 | N47 | N42 | C40 | 0.7° | 0.3° |
| N47 | N48 | C39 | C40 | 0.5° | 0.5° |
| N47 | N48 | C39 | C36 | 178.7° | 179.9° |
| N42 | C40 | C39 | N48 | 0.0° | 0.3° |
| N42 | C40 | C39 | H19 | 180.0° | 179.9° |
| N42 | C40 | C39 | C36 | 178.0° | 179.9° |
| C40 | N42 | C43 | H20 | 179.2° | 90.0° |
| C40 | N42 | C43 | H21 | 60.9° | 150.0° |
| C40 | N42 | C43 | H22 | 59.1° | 30.0° |
| N48 | C39 | C40 | C36 | 177.9° | 179.7° |
| N48 | C39 | C36 | C37 | 4.6° | 179.7° |
| N48 | C39 | C36 | C17 | 173.6° | 0.6° |
| N48 | C39 | C40 | H19 | 179.9° | 179.8° |
| C40 | C39 | C36 | C37 | 177.7° | 0.1° |
| C40 | C39 | C36 | C17 | 4.1° | 179.8° |
| C39 | C36 | C37 | C17 | 178.3° | 179.7° |
| C39 | C36 | C37 | C12 | 178.8° | 180.0° |
| C39 | C36 | C17 | O18 | 1.5° | 0.1° |
| C39 | C36 | C17 | C15 | 178.9° | 180.0° |
| C39 | C36 | C37 | H18 | 1.2° | 0.3° |
| C36 | C39 | C40 | H19 | 2.0° | 0.1° |
| C36 | C37 | C12 | H18 | 180.0° | 179.8° |
| C37 | C36 | C17 | O18 | 179.8° | 179.8° |
| C37 | C36 | C17 | C15 | 0.7° | 0.3° |
| C36 | C37 | C12 | C10 | 179.5° | 180.0° |
| C36 | C37 | C12 | C13 | 0.0° | 0.0° |
| C17 | C36 | C37 | C12 | 0.4° | 0.3° |
| C36 | C17 | O18 | C15 | 179.5° | 179.9° |
| C36 | C17 | O18 | C19 | 166.4° | 174.6° |
| C36 | C17 | C15 | C13 | 0.4° | 0.1° |
| C36 | C17 | C15 | H2 | 179.6° | 180.0° |
| C17 | C36 | C37 | H18 | 179.6° | 180.0° |
| C37 | C12 | C10 | C13 | 179.5° | 180.0° |
| C37 | C12 | C10 | N08 | 30.9° | 179.7° |
| C37 | C12 | C10 | O11 | 150.4° | 0.0° |
| C37 | C12 | C13 | C15 | 0.3° | 0.3° |
| C37 | C12 | C13 | H1 | 179.7° | 180.0° |
| C17 | O18 | C19 | C21 | 165.8° | 84.7° |
| C17 | O18 | C19 | C25 | 73.0° | 155.3° |
| O18 | C17 | C15 | C13 | 179.9° | 180.0° |
| O18 | C17 | C15 | H2 | 0.1° | 0.0° |
| C17 | O18 | C19 | H14 | 48.2° | 35.3° |
| O18 | C19 | C21 | C25 | 121.1° | 120.0° |
| O18 | C19 | C21 | H14 | 118.1° | 120.0° |
| C19 | O18 | C17 | C15 | 14.0° | 5.3° |
| O18 | C19 | C25 | H14 | 121.7° | 120.0° |
| O18 | C19 | C25 | C34 | 43.0° | 35.0° |
| O18 | C19 | C25 | C26 | 138.6° | 145.0° |
| O18 | C19 | C21 | H3 | 180.0° | 60.0° |
| O18 | C19 | C21 | H4 | 60.0° | 60.0° |
| O18 | C19 | C21 | H5 | 60.0° | 180.0° |
| C21 | C19 | C25 | H14 | 120.8° | 120.0° |
| C21 | C19 | C25 | C34 | 74.5° | 85.0° |
| C21 | C19 | C25 | C26 | 103.9° | 95.0° |
| C19 | C21 | H3 | H4 | 120.0° | 120.0° |
| C19 | C21 | H3 | H5 | 120.0° | 120.0° |
| C19 | C21 | H4 | H5 | 120.0° | 120.0° |
| C17 | C15 | C13 | C12 | 0.1° | 0.2° |
| C17 | C15 | C13 | H2 | 180.0° | 180.0° |
| C17 | C15 | C13 | H1 | 179.9° | 179.9° |
| C01 | C05 | N08 | C10 | 136.5° | 180.0° |
| C01 | C05 | N08 | H11 | 120.5° | 120.0° |
| C01 | C05 | N08 | H12 | 120.5° | 120.0° |
| C05 | C01 | H8 | H9 | 120.0° | 120.0° |
| C05 | C01 | H8 | H10 | 120.0° | 120.0° |
| C05 | C01 | H9 | H10 | 120.0° | 120.0° |
| C01 | C05 | H11 | H12 | 118.5° | 120.0° |
| C01 | C05 | N08 | H13 | 43.5° | 0.0° |
| C12 | C10 | N08 | O11 | 178.7° | 179.7° |
| C12 | C10 | N08 | C05 | 178.8° | 179.7° |
| C10 | C12 | C13 | C15 | 179.8° | 179.7° |
| C10 | C12 | C13 | H1 | 0.2° | 0.0° |
| C12 | C10 | N08 | H13 | 1.2° | 0.2° |
| C10 | C12 | C37 | H18 | 0.5° | 0.2° |
| C13 | C12 | C10 | N08 | 149.7° | 0.2° |
| C13 | C12 | C10 | O11 | 29.1° | 180.0° |
| C12 | C13 | C15 | H1 | 180.0° | 179.7° |
| C12 | C13 | C15 | H2 | 179.9° | 179.7° |
| C13 | C12 | C37 | H18 | 179.9° | 179.7° |
| C19 | C25 | C34 | C26 | 178.5° | 179.9° |
| C19 | C25 | C34 | C32 | 179.4° | 179.4° |
| C19 | C25 | C26 | C28 | 179.5° | 180.0° |
| C25 | C19 | C21 | H3 | 58.9° | 180.0° |
| C25 | C19 | C21 | H4 | 178.9° | 60.0° |
| C25 | C19 | C21 | H5 | 61.1° | 60.0° |
| C19 | C25 | C26 | H6 | 0.5° | 0.3° |
| C19 | C25 | C34 | H17 | 0.6° | 0.0° |
| C10 | N08 | C05 | H13 | 180.0° | 180.0° |
| C10 | N08 | C05 | H11 | 103.0° | 60.0° |
| C10 | N08 | C05 | H12 | 16.0° | 60.0° |
| C05 | N08 | C10 | O11 | 0.1° | 0.0° |
| N08 | C05 | C01 | H8 | 180.0° | 60.0° |
| N08 | C05 | C01 | H9 | 60.0° | 60.0° |
| N08 | C05 | C01 | H10 | 60.0° | 180.0° |
| N08 | C05 | H11 | H12 | 118.6° | 120.0° |
| O11 | C10 | N08 | H13 | 180.0° | 180.0° |
| C25 | C34 | C32 | H17 | 180.0° | 179.5° |
| C25 | C34 | C32 | C30 | 0.5° | 0.8° |
| C34 | C25 | C26 | C28 | 1.0° | 0.0° |
| C34 | C25 | C26 | H6 | 179.0° | 179.7° |
| C34 | C25 | C19 | H14 | 164.7° | 155.0° |
| C25 | C34 | C32 | H16 | 179.5° | 179.7° |
| C32 | C34 | C25 | C26 | 0.9° | 0.5° |
| C34 | C32 | C30 | H16 | 180.0° | 179.5° |
| C34 | C32 | C30 | C28 | 0.0° | 0.5° |
| C34 | C32 | C30 | H15 | 180.0° | 179.4° |
| C25 | C26 | C28 | H6 | 180.0° | 179.7° |
| C25 | C26 | C28 | C30 | 0.6° | 0.3° |
| C25 | C26 | C28 | H7 | 179.4° | 179.7° |
| C26 | C25 | C19 | H14 | 16.9° | 25.0° |
| C26 | C25 | C34 | H17 | 179.1° | 180.0° |
| C32 | C30 | C28 | C26 | 0.1° | 0.0° |
| C32 | C30 | C28 | H15 | 180.0° | 179.9° |
| C32 | C30 | C28 | H7 | 179.9° | 180.0° |
| C30 | C32 | C34 | H17 | 179.6° | 179.7° |
| C26 | C28 | C30 | H7 | 180.0° | 180.0° |
| C26 | C28 | C30 | H15 | 179.9° | 180.0° |
| C30 | C28 | C26 | H6 | 179.4° | 180.0° |
| C28 | C30 | C32 | H16 | 180.0° | 180.0° |
| H1 | C13 | C15 | H2 | 0.1° | 0.0° |
| H3 | C21 | H4 | H5 | 120.0° | 120.0° |
| H3 | C21 | C19 | H14 | 61.9° | 60.0° |
| H4 | C21 | C19 | H14 | 58.1° | 180.0° |
| H5 | C21 | C19 | H14 | 178.1° | 60.0° |
| H6 | C26 | C28 | H7 | 0.6° | 0.0° |
| H7 | C28 | C30 | H15 | 0.1° | 0.0° |
| H8 | C01 | H9 | H10 | 120.0° | 120.0° |
| H8 | C01 | C05 | H11 | 59.5° | 60.0° |
| H8 | C01 | C05 | H12 | 59.5° | 180.0° |
| H9 | C01 | C05 | H11 | 60.5° | 180.0° |
| H9 | C01 | C05 | H12 | 179.5° | 60.0° |
| H10 | C01 | C05 | H11 | 179.5° | 60.0° |
| H10 | C01 | C05 | H12 | 60.5° | 60.0° |
| H11 | C05 | N08 | H13 | 77.0° | 120.0° |
| H12 | C05 | N08 | H13 | 164.0° | 120.0° |
| H15 | C30 | C32 | H16 | 0.0° | 0.1° |
| H16 | C32 | C34 | H17 | 0.4° | 0.2° |
| H20 | C43 | H21 | H22 | 120.0° | 120.1° |
