8UC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N11 | N12 | sing | 1.40Å | 1.41Å | Aromatic |
| N11 | C10 | sing | 1.35Å | 1.36Å | Aromatic |
| C43 | N44 | doub | 1.32Å | 1.35Å | Aromatic |
| C43 | C42 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C10 | sing | 1.51Å | 1.52Å | |
| N12 | C6 | doub | 1.30Å | 1.35Å | Aromatic |
| N44 | C45 | sing | 1.32Å | 1.36Å | Aromatic |
| C10 | C5 | doub | 1.34Å | 1.51Å | Aromatic |
| C42 | C41 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.47Å | Aromatic |
| C6 | O1 | sing | 1.36Å | 1.37Å | |
| C45 | C46 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.50Å | 1.52Å | |
| C41 | C46 | sing | 1.40Å | 1.40Å | Aromatic |
| C41 | C19 | sing | 1.48Å | 1.50Å | |
| C20 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | C14 | sing | 1.53Å | 1.54Å | |
| O1 | C2 | sing | 1.35Å | 1.47Å | |
| C19 | C35 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | C16 | sing | 1.50Å | 1.51Å | |
| C4 | C14 | sing | 1.54Å | 1.56Å | |
| C4 | C3 | sing | 1.50Å | 1.56Å | |
| C16 | C17 | doub | 1.39Å | 1.37Å | Aromatic |
| C35 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C14 | C38 | sing | 1.55Å | 1.57Å | |
| C2 | C3 | doub | 1.35Å | 1.37Å | |
| C2 | N7 | sing | 1.37Å | 1.35Å | |
| C17 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | C38 | sing | 1.50Å | 1.51Å | |
| C3 | C8 | sing | 1.43Å | 1.29Å | |
| C18 | F29 | sing | 1.35Å | 1.35Å | |
| C8 | N9 | trip | 1.14Å | 1.18Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C35 | H5 | sing | 1.08Å | 1.08Å | |
| C38 | H6 | sing | 1.09Å | 1.10Å | |
| C38 | H7 | sing | 1.09Å | 1.10Å | |
| C30 | H8 | sing | 1.09Å | 1.10Å | |
| C30 | H9 | sing | 1.09Å | 1.10Å | |
| C30 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C46 | H14 | sing | 1.08Å | 1.08Å | |
| C45 | H15 | sing | 1.08Å | 1.08Å | |
| C43 | H16 | sing | 1.08Å | 1.08Å | |
| C42 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å | |
| N7 | H19 | sing | 0.97Å | 1.00Å | |
| N7 | H20 | sing | 0.97Å | 1.00Å | |
| N11 | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N12 | N11 | C10 | 115.7° | 108.1° |
| N11 | N12 | C6 | 103.1° | 108.2° |
| N12 | N11 | H1 | 122.1° | 126.0° |
| N11 | C10 | C13 | 122.4° | 126.2° |
| N11 | C10 | C5 | 105.1° | 107.6° |
| C10 | N11 | H1 | 122.2° | 125.9° |
| N44 | C43 | C42 | 119.4° | 120.9° |
| C43 | N44 | C45 | 121.3° | 122.0° |
| N44 | C43 | H16 | 120.3° | 119.5° |
| C43 | C42 | C41 | 121.0° | 119.0° |
| C42 | C43 | H16 | 120.3° | 119.6° |
| C43 | C42 | H17 | 119.5° | 120.5° |
| C13 | C10 | C5 | 132.4° | 126.2° |
| C10 | C13 | H2 | 109.5° | 109.4° |
| C10 | C13 | H3 | 109.5° | 109.5° |
| C10 | C13 | H4 | 109.5° | 109.5° |
| N12 | C6 | C5 | 114.6° | 108.0° |
| N12 | C6 | O1 | 126.2° | 130.0° |
| N44 | C45 | C46 | 121.0° | 120.8° |
| N44 | C45 | H15 | 119.5° | 119.6° |
| C10 | C5 | C6 | 101.4° | 108.1° |
| C10 | C5 | C4 | 136.7° | 130.1° |
| C42 | C41 | C46 | 117.9° | 118.2° |
| C42 | C41 | C19 | 119.4° | 120.9° |
| C41 | C42 | H17 | 119.5° | 120.5° |
| C5 | C6 | O1 | 119.2° | 122.0° |
| C6 | C5 | C4 | 121.9° | 121.8° |
| C6 | O1 | C2 | 120.5° | 117.8° |
| C45 | C46 | C41 | 119.3° | 119.1° |
| C45 | C46 | H14 | 120.4° | 120.4° |
| C46 | C45 | H15 | 119.5° | 119.6° |
| C5 | C4 | C16 | 109.3° | 111.2° |
| C5 | C4 | C14 | 114.8° | 109.9° |
| C5 | C4 | C3 | 111.6° | 109.0° |
| C46 | C41 | C19 | 122.7° | 120.9° |
| C41 | C46 | H14 | 120.4° | 120.5° |
| C41 | C19 | C20 | 118.7° | 119.4° |
| C41 | C19 | C35 | 122.7° | 119.3° |
| C19 | C20 | C16 | 119.8° | 117.2° |
| C20 | C19 | C35 | 118.6° | 121.3° |
| C19 | C20 | H18 | 120.1° | 121.4° |
| C20 | C16 | C4 | 128.8° | 129.0° |
| C20 | C16 | C17 | 120.4° | 121.3° |
| C16 | C20 | H18 | 120.1° | 121.4° |
| C30 | C14 | C4 | 109.4° | 110.8° |
| C30 | C14 | C15 | 107.7° | 110.7° |
| C30 | C14 | C38 | 109.4° | 110.9° |
| C14 | C30 | H8 | 109.5° | 109.5° |
| C14 | C30 | H9 | 109.5° | 109.5° |
| C14 | C30 | H10 | 109.5° | 109.5° |
| O1 | C2 | C3 | 121.1° | 124.5° |
| O1 | C2 | N7 | 116.3° | 117.8° |
| C19 | C35 | C18 | 120.9° | 121.3° |
| C19 | C35 | H5 | 119.5° | 119.3° |
| C16 | C4 | C14 | 100.4° | 105.7° |
| C16 | C4 | C3 | 112.5° | 111.2° |
| C4 | C16 | C17 | 110.8° | 109.7° |
| C14 | C4 | C3 | 107.8° | 109.9° |
| C4 | C14 | C15 | 117.4° | 110.8° |
| C4 | C14 | C38 | 103.2° | 102.5° |
| C4 | C3 | C2 | 121.5° | 122.6° |
| C4 | C3 | C8 | 121.4° | 118.7° |
| C16 | C17 | C18 | 121.7° | 121.5° |
| C16 | C17 | C38 | 111.2° | 109.9° |
| C35 | C18 | C17 | 118.6° | 117.3° |
| C35 | C18 | F29 | 122.4° | 121.3° |
| C18 | C35 | H5 | 119.6° | 119.3° |
| C15 | C14 | C38 | 109.4° | 110.8° |
| C14 | C15 | H11 | 109.5° | 109.5° |
| C14 | C15 | H12 | 109.5° | 109.5° |
| C14 | C15 | H13 | 109.4° | 109.5° |
| C14 | C38 | C17 | 100.5° | 105.2° |
| C14 | C38 | H6 | 111.6° | 110.3° |
| C14 | C38 | H7 | 111.7° | 110.4° |
| C3 | C2 | N7 | 122.5° | 117.8° |
| C2 | C3 | C8 | 117.1° | 118.7° |
| C2 | N7 | H19 | 109.5° | 120.0° |
| C2 | N7 | H20 | 109.5° | 120.0° |
| C18 | C17 | C38 | 127.1° | 128.6° |
| C17 | C18 | F29 | 118.9° | 121.4° |
| C17 | C38 | H6 | 111.7° | 110.4° |
| C17 | C38 | H7 | 111.7° | 110.3° |
| C3 | C8 | N9 | 179.8° | 180.0° |
| H2 | C13 | H3 | 109.5° | 109.5° |
| H2 | C13 | H4 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H6 | C38 | H7 | 109.5° | 110.2° |
| H8 | C30 | H9 | 109.4° | 109.5° |
| H8 | C30 | H10 | 109.5° | 109.5° |
| H9 | C30 | H10 | 109.5° | 109.4° |
| H11 | C15 | H12 | 109.5° | 109.4° |
| H11 | C15 | H13 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.4° |
| H19 | N7 | H20 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N12 | N11 | C10 | H1 | 180.0° | 180.0° |
| N12 | N11 | C10 | C13 | 179.0° | 180.0° |
| N12 | N11 | C10 | C5 | 0.7° | 0.0° |
| N11 | N12 | C6 | C5 | 0.1° | 0.1° |
| N11 | N12 | C6 | O1 | 179.6° | 179.6° |
| N11 | C10 | C13 | C5 | 179.5° | 180.0° |
| C10 | N11 | N12 | C6 | 0.4° | 0.0° |
| N11 | C10 | C5 | C6 | 0.7° | 0.0° |
| N11 | C10 | C5 | C4 | 180.0° | 180.0° |
| N11 | C10 | C13 | H2 | 89.8° | 83.5° |
| N11 | C10 | C13 | H3 | 150.2° | 36.4° |
| N11 | C10 | C13 | H4 | 30.2° | 156.5° |
| N44 | C43 | C42 | H16 | 180.0° | 179.8° |
| N44 | C43 | C42 | C41 | 0.4° | 0.5° |
| C43 | N44 | C45 | C46 | 0.4° | 0.0° |
| C43 | N44 | C45 | H15 | 179.6° | 180.0° |
| N44 | C43 | C42 | H17 | 179.6° | 179.9° |
| C42 | C43 | N44 | C45 | 0.0° | 0.3° |
| C43 | C42 | C41 | H17 | 180.0° | 179.5° |
| C43 | C42 | C41 | C46 | 0.4° | 0.5° |
| C43 | C42 | C41 | C19 | 179.8° | 179.7° |
| C13 | C10 | C5 | C6 | 179.0° | 180.0° |
| C13 | C10 | C5 | C4 | 0.4° | 0.1° |
| C10 | C13 | H2 | H3 | 120.0° | 119.9° |
| C10 | C13 | H2 | H4 | 120.0° | 120.0° |
| C10 | C13 | H3 | H4 | 120.0° | 120.0° |
| C13 | C10 | N11 | H1 | 1.0° | 0.0° |
| N12 | C6 | C5 | C10 | 0.5° | 0.0° |
| N12 | C6 | C5 | O1 | 179.5° | 179.7° |
| N12 | C6 | C5 | C4 | 180.0° | 179.9° |
| N12 | C6 | O1 | C2 | 163.5° | 167.3° |
| C6 | N12 | N11 | H1 | 179.6° | 179.9° |
| N44 | C45 | C46 | H15 | 180.0° | 180.0° |
| N44 | C45 | C46 | C41 | 0.4° | 0.0° |
| N44 | C45 | C46 | H14 | 179.6° | 179.9° |
| C45 | N44 | C43 | H16 | 180.0° | 179.9° |
| C10 | C5 | C6 | C4 | 179.5° | 180.0° |
| C10 | C5 | C6 | O1 | 180.0° | 179.7° |
| C10 | C5 | C4 | C16 | 38.8° | 45.7° |
| C10 | C5 | C4 | C14 | 73.0° | 71.0° |
| C10 | C5 | C4 | C3 | 163.9° | 168.5° |
| C5 | C10 | C13 | H2 | 89.7° | 96.5° |
| C5 | C10 | C13 | H3 | 30.3° | 143.5° |
| C5 | C10 | C13 | H4 | 150.2° | 23.5° |
| C5 | C10 | N11 | H1 | 179.3° | 180.0° |
| C42 | C41 | C46 | C45 | 0.0° | 0.3° |
| C42 | C41 | C46 | C19 | 179.4° | 179.7° |
| C42 | C41 | C19 | C20 | 54.8° | 0.3° |
| C42 | C41 | C19 | C35 | 124.5° | 179.7° |
| C42 | C41 | C46 | H14 | 180.0° | 179.7° |
| C41 | C42 | C43 | H16 | 179.6° | 179.7° |
| C5 | C6 | O1 | C2 | 17.0° | 12.4° |
| C6 | C5 | C4 | C16 | 140.4° | 134.4° |
| C6 | C5 | C4 | C14 | 107.7° | 108.9° |
| C6 | C5 | C4 | C3 | 15.3° | 11.5° |
| O1 | C6 | C5 | C4 | 0.5° | 0.3° |
| C6 | O1 | C2 | C3 | 16.1° | 12.6° |
| C6 | O1 | C2 | N7 | 162.7° | 167.2° |
| C45 | C46 | C41 | H14 | 180.0° | 180.0° |
| C45 | C46 | C41 | C19 | 179.4° | 180.0° |
| C5 | C4 | C16 | C20 | 34.5° | 44.3° |
| C5 | C4 | C14 | C30 | 35.9° | 26.7° |
| C5 | C4 | C16 | C14 | 121.0° | 119.3° |
| C5 | C4 | C16 | C3 | 124.6° | 121.5° |
| C5 | C4 | C14 | C3 | 125.1° | 119.9° |
| C5 | C4 | C16 | C17 | 144.7° | 135.6° |
| C5 | C4 | C14 | C15 | 87.2° | 96.6° |
| C5 | C4 | C14 | C38 | 152.3° | 145.1° |
| C5 | C4 | C3 | C2 | 16.4° | 11.7° |
| C5 | C4 | C3 | C8 | 166.0° | 168.2° |
| C46 | C41 | C19 | C20 | 125.8° | 179.9° |
| C46 | C41 | C19 | C35 | 54.9° | 0.0° |
| C41 | C46 | C45 | H15 | 179.6° | 180.0° |
| C46 | C41 | C42 | H17 | 179.6° | 180.0° |
| C41 | C19 | C20 | C35 | 179.3° | 180.0° |
| C41 | C19 | C20 | C16 | 179.9° | 180.0° |
| C41 | C19 | C35 | C18 | 179.2° | 180.0° |
| C41 | C19 | C35 | H5 | 0.8° | 0.1° |
| C19 | C41 | C46 | H14 | 0.6° | 0.0° |
| C19 | C41 | C42 | H17 | 0.1° | 0.2° |
| C41 | C19 | C20 | H18 | 0.1° | 0.1° |
| C19 | C20 | C16 | H18 | 180.0° | 179.9° |
| C19 | C20 | C16 | C4 | 179.9° | 179.9° |
| C19 | C20 | C16 | C17 | 1.0° | 0.0° |
| C20 | C19 | C35 | C18 | 0.1° | 0.0° |
| C20 | C19 | C35 | H5 | 179.9° | 179.9° |
| C16 | C20 | C19 | C35 | 0.6° | 0.0° |
| C20 | C16 | C4 | C17 | 179.2° | 179.9° |
| C20 | C16 | C4 | C14 | 155.5° | 163.6° |
| C20 | C16 | C4 | C3 | 90.1° | 77.2° |
| C20 | C16 | C17 | C18 | 0.7° | 0.0° |
| C20 | C16 | C17 | C38 | 177.6° | 180.0° |
| C30 | C14 | C4 | C16 | 81.1° | 93.4° |
| C30 | C14 | C4 | C15 | 123.1° | 123.3° |
| C30 | C14 | C4 | C38 | 116.4° | 118.4° |
| C30 | C14 | C4 | C3 | 161.0° | 146.6° |
| C30 | C14 | C15 | C38 | 118.9° | 123.5° |
| C30 | C14 | C38 | C17 | 81.9° | 93.3° |
| C30 | C14 | C38 | H6 | 159.5° | 25.7° |
| C30 | C14 | C38 | H7 | 36.6° | 147.7° |
| C14 | C30 | H8 | H9 | 120.0° | 120.0° |
| C14 | C30 | H8 | H10 | 120.0° | 120.0° |
| C14 | C30 | H9 | H10 | 120.0° | 120.0° |
| C30 | C14 | C15 | H11 | 180.0° | 63.3° |
| C30 | C14 | C15 | H12 | 60.0° | 56.7° |
| C30 | C14 | C15 | H13 | 60.0° | 176.7° |
| O1 | C2 | C3 | C4 | 2.0° | 0.3° |
| O1 | C2 | C3 | N7 | 178.8° | 179.8° |
| O1 | C2 | C3 | C8 | 179.6° | 179.6° |
| O1 | C2 | N7 | H19 | 0.0° | 179.7° |
| O1 | C2 | N7 | H20 | 120.0° | 0.2° |
| C19 | C35 | C18 | H5 | 180.0° | 179.9° |
| C19 | C35 | C18 | C17 | 0.4° | 0.0° |
| C19 | C35 | C18 | F29 | 179.8° | 179.9° |
| C35 | C19 | C20 | H18 | 179.4° | 180.0° |
| C16 | C4 | C14 | C3 | 117.9° | 120.0° |
| C16 | C4 | C14 | C15 | 155.8° | 143.3° |
| C16 | C4 | C14 | C38 | 35.3° | 25.1° |
| C16 | C4 | C3 | C2 | 139.7° | 134.5° |
| C4 | C16 | C17 | C18 | 180.0° | 180.0° |
| C4 | C16 | C17 | C38 | 1.7° | 0.1° |
| C16 | C4 | C3 | C8 | 42.8° | 45.3° |
| C4 | C16 | C20 | H18 | 0.1° | 0.0° |
| C14 | C4 | C16 | C17 | 23.7° | 16.3° |
| C4 | C14 | C15 | C38 | 117.2° | 113.1° |
| C14 | C4 | C3 | C2 | 110.5° | 108.8° |
| C4 | C14 | C38 | C17 | 34.4° | 25.0° |
| C14 | C4 | C3 | C8 | 67.0° | 71.3° |
| C4 | C14 | C38 | H6 | 84.1° | 144.0° |
| C4 | C14 | C38 | H7 | 153.0° | 93.9° |
| C4 | C14 | C30 | H8 | 180.0° | 69.0° |
| C4 | C14 | C30 | H9 | 60.0° | 171.0° |
| C4 | C14 | C30 | H10 | 60.0° | 51.0° |
| C4 | C14 | C15 | H11 | 56.0° | 60.0° |
| C4 | C14 | C15 | H12 | 64.0° | 180.0° |
| C4 | C14 | C15 | H13 | 176.1° | 60.0° |
| C3 | C4 | C16 | C17 | 90.7° | 102.9° |
| C3 | C4 | C14 | C15 | 37.9° | 23.3° |
| C3 | C4 | C14 | C38 | 82.6° | 95.0° |
| C4 | C3 | C2 | C8 | 177.6° | 179.9° |
| C4 | C3 | C2 | N7 | 179.3° | 179.9° |
| C4 | C3 | C8 | N9 | 174.3° | 108.7° |
| C16 | C17 | C18 | C35 | 0.0° | 0.0° |
| C16 | C17 | C38 | C14 | 21.0° | 16.4° |
| C16 | C17 | C18 | C38 | 178.0° | 180.0° |
| C16 | C17 | C18 | F29 | 179.8° | 179.9° |
| C16 | C17 | C38 | H6 | 97.5° | 135.3° |
| C16 | C17 | C38 | H7 | 139.5° | 102.6° |
| C17 | C16 | C20 | H18 | 179.0° | 179.9° |
| C35 | C18 | C17 | F29 | 179.8° | 180.0° |
| C35 | C18 | C17 | C38 | 178.0° | 180.0° |
| C15 | C14 | C38 | C17 | 160.2° | 143.3° |
| C15 | C14 | C38 | H6 | 41.7° | 97.7° |
| C15 | C14 | C38 | H7 | 81.2° | 24.3° |
| C15 | C14 | C30 | H8 | 51.3° | 167.7° |
| C15 | C14 | C30 | H9 | 68.7° | 47.6° |
| C15 | C14 | C30 | H10 | 171.3° | 72.3° |
| C14 | C15 | H11 | H12 | 120.0° | 120.0° |
| C14 | C15 | H11 | H13 | 120.0° | 120.0° |
| C14 | C15 | H12 | H13 | 119.9° | 120.0° |
| C14 | C38 | C17 | C18 | 157.2° | 163.7° |
| C14 | C38 | C17 | H6 | 118.5° | 119.0° |
| C14 | C38 | C17 | H7 | 118.5° | 119.0° |
| C14 | C38 | H6 | H7 | 124.1° | 122.1° |
| C38 | C14 | C30 | H8 | 67.6° | 44.2° |
| C38 | C14 | C30 | H9 | 172.4° | 75.8° |
| C38 | C14 | C30 | H10 | 52.4° | 164.2° |
| C38 | C14 | C15 | H11 | 61.1° | 173.1° |
| C38 | C14 | C15 | H12 | 178.9° | 66.9° |
| C38 | C14 | C15 | H13 | 58.9° | 53.1° |
| C2 | C3 | C8 | N9 | 8.0° | 71.4° |
| C3 | C2 | N7 | H19 | 178.8° | 0.1° |
| C3 | C2 | N7 | H20 | 61.2° | 180.0° |
| N7 | C2 | C3 | C8 | 1.6° | 0.2° |
| C2 | N7 | H19 | H20 | 120.0° | 179.9° |
| C17 | C18 | C35 | H5 | 179.6° | 179.9° |
| C18 | C17 | C38 | H6 | 84.3° | 44.7° |
| C18 | C17 | C38 | H7 | 38.6° | 77.3° |
| C38 | C17 | C18 | F29 | 2.2° | 0.0° |
| C17 | C38 | H6 | H7 | 124.2° | 122.1° |
| F29 | C18 | C35 | H5 | 0.2° | 0.0° |
| H2 | C13 | H3 | H4 | 120.0° | 120.0° |
| H8 | C30 | H9 | H10 | 120.0° | 120.0° |
| H11 | C15 | H12 | H13 | 120.0° | 119.9° |
| H14 | C46 | C45 | H15 | 0.4° | 0.0° |
| H16 | C43 | C42 | H17 | 0.4° | 0.2° |
