8U7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | N3 | sing | 1.47Å | 1.47Å | |
| N3 | C6 | sing | 1.47Å | 1.46Å | |
| N3 | C5 | sing | 1.47Å | 1.46Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C7 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | N2 | sing | 1.46Å | 1.46Å | |
| N2 | C2 | sing | 1.35Å | 1.36Å | |
| O1 | C2 | doub | 1.22Å | 1.23Å | |
| C2 | N1 | sing | 1.35Å | 1.33Å | |
| N1 | C1 | sing | 1.46Å | 1.44Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| N2 | H18 | sing | 0.97Å | 1.00Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.08Å | 1.08Å | |
| C12 | H21 | sing | 1.08Å | 1.08Å | |
| C14 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | C11 | 120.6° | 120.0° |
| C12 | C13 | C14 | 119.7° | 120.1° |
| C12 | C13 | H14 | 120.2° | 120.0° |
| C13 | C12 | H21 | 119.7° | 120.0° |
| C12 | C11 | C10 | 120.1° | 120.1° |
| C12 | C11 | H20 | 119.9° | 120.0° |
| C11 | C12 | H21 | 119.7° | 120.0° |
| C13 | C14 | C9 | 120.2° | 120.0° |
| C14 | C13 | H14 | 120.2° | 120.0° |
| C13 | C14 | H22 | 119.9° | 120.0° |
| C11 | C10 | C9 | 119.8° | 119.9° |
| C11 | C10 | H13 | 120.1° | 120.1° |
| C10 | C11 | H20 | 119.9° | 120.0° |
| C14 | C9 | C10 | 119.7° | 120.0° |
| C14 | C9 | C8 | 121.0° | 120.0° |
| C9 | C14 | H22 | 119.9° | 120.0° |
| C10 | C9 | C8 | 119.4° | 120.0° |
| C9 | C10 | H13 | 120.1° | 120.0° |
| C9 | C8 | N3 | 111.9° | 109.5° |
| C9 | C8 | H11 | 108.8° | 109.5° |
| C9 | C8 | H12 | 108.8° | 109.4° |
| C8 | N3 | C6 | 112.2° | 111.0° |
| C8 | N3 | C5 | 108.1° | 111.0° |
| N3 | C8 | H11 | 108.8° | 109.5° |
| N3 | C8 | H12 | 108.9° | 109.5° |
| C6 | N3 | C5 | 109.2° | 111.2° |
| N3 | C6 | C7 | 110.7° | 109.5° |
| N3 | C6 | H7 | 109.2° | 109.5° |
| N3 | C6 | H8 | 109.2° | 109.5° |
| N3 | C5 | C4 | 108.8° | 109.5° |
| N3 | C5 | H5 | 109.6° | 109.5° |
| N3 | C5 | H6 | 109.6° | 109.5° |
| C6 | C7 | C3 | 110.2° | 109.3° |
| C7 | C6 | H7 | 109.2° | 109.5° |
| C7 | C6 | H8 | 109.2° | 109.4° |
| C6 | C7 | H9 | 109.3° | 109.5° |
| C6 | C7 | H10 | 109.3° | 109.5° |
| C5 | C4 | C3 | 111.3° | 109.3° |
| C5 | C4 | H3 | 109.0° | 109.5° |
| C5 | C4 | H4 | 109.0° | 109.6° |
| C4 | C5 | H5 | 109.7° | 109.4° |
| C4 | C5 | H6 | 109.6° | 109.5° |
| C7 | C3 | C4 | 107.7° | 109.2° |
| C7 | C3 | N2 | 108.8° | 109.5° |
| C3 | C7 | H9 | 109.3° | 109.5° |
| C3 | C7 | H10 | 109.3° | 109.5° |
| C7 | C3 | H19 | 111.2° | 109.5° |
| C4 | C3 | N2 | 105.7° | 109.6° |
| C3 | C4 | H3 | 109.0° | 109.5° |
| C3 | C4 | H4 | 109.0° | 109.5° |
| C4 | C3 | H19 | 111.1° | 109.5° |
| C3 | N2 | C2 | 123.5° | 120.0° |
| C3 | N2 | H18 | 118.2° | 120.0° |
| N2 | C3 | H19 | 112.1° | 109.6° |
| N2 | C2 | O1 | 121.0° | 120.0° |
| N2 | C2 | N1 | 117.9° | 120.0° |
| C2 | N2 | H18 | 118.2° | 120.0° |
| O1 | C2 | N1 | 121.1° | 120.0° |
| C2 | N1 | C1 | 121.4° | 120.0° |
| C2 | N1 | H1 | 119.3° | 120.0° |
| C1 | N1 | H1 | 119.3° | 120.0° |
| N1 | C1 | H15 | 109.5° | 109.5° |
| N1 | C1 | H16 | 109.5° | 109.5° |
| N1 | C1 | H17 | 109.5° | 109.5° |
| H3 | C4 | H4 | 109.5° | 109.5° |
| H5 | C5 | H6 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H9 | C7 | H10 | 109.5° | 109.6° |
| H11 | C8 | H12 | 109.5° | 109.5° |
| H15 | C1 | H16 | 109.5° | 109.4° |
| H15 | C1 | H17 | 109.5° | 109.4° |
| H16 | C1 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C11 | H21 | 180.0° | 179.7° |
| C12 | C13 | C14 | H14 | 180.0° | 179.4° |
| C13 | C12 | C11 | C10 | 0.1° | 0.0° |
| C12 | C13 | C14 | C9 | 0.2° | 0.6° |
| C13 | C12 | C11 | H20 | 179.9° | 180.0° |
| C12 | C13 | C14 | H22 | 179.8° | 180.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.3° |
| C12 | C11 | C10 | H20 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 0.4° | 0.0° |
| C12 | C11 | C10 | H13 | 179.6° | 179.8° |
| C11 | C12 | C13 | H14 | 179.9° | 179.7° |
| C13 | C14 | C9 | H22 | 180.0° | 179.4° |
| C13 | C14 | C9 | C10 | 0.7° | 0.5° |
| C13 | C14 | C9 | C8 | 179.8° | 179.4° |
| C14 | C13 | C12 | H21 | 179.8° | 180.0° |
| C11 | C10 | C9 | C14 | 0.8° | 0.2° |
| C11 | C10 | C9 | H13 | 180.0° | 179.8° |
| C11 | C10 | C9 | C8 | 179.8° | 179.7° |
| C10 | C11 | C12 | H21 | 179.9° | 179.7° |
| C14 | C9 | C10 | C8 | 179.5° | 179.9° |
| C14 | C9 | C8 | N3 | 102.9° | 90.0° |
| C14 | C9 | C8 | H11 | 17.4° | 150.0° |
| C14 | C9 | C8 | H12 | 136.7° | 30.0° |
| C14 | C9 | C10 | H13 | 179.2° | 179.9° |
| C9 | C14 | C13 | H14 | 179.7° | 180.0° |
| C10 | C9 | C8 | N3 | 77.6° | 89.9° |
| C10 | C9 | C8 | H11 | 162.0° | 30.0° |
| C10 | C9 | C8 | H12 | 42.7° | 150.1° |
| C9 | C10 | C11 | H20 | 179.6° | 180.0° |
| C10 | C9 | C14 | H22 | 179.3° | 179.9° |
| C9 | C8 | N3 | H11 | 120.4° | 120.0° |
| C9 | C8 | N3 | H12 | 120.3° | 120.0° |
| C9 | C8 | N3 | C6 | 61.4° | 170.0° |
| C9 | C8 | N3 | C5 | 178.2° | 65.8° |
| C9 | C8 | H11 | H12 | 118.9° | 120.0° |
| C8 | C9 | C10 | H13 | 0.2° | 0.1° |
| C8 | C9 | C14 | H22 | 0.2° | 0.0° |
| C8 | N3 | C6 | C5 | 119.8° | 124.1° |
| C8 | N3 | C6 | C7 | 177.4° | 174.2° |
| C8 | N3 | C5 | C4 | 174.9° | 174.2° |
| C8 | N3 | C5 | H5 | 65.2° | 65.8° |
| C8 | N3 | C5 | H6 | 55.0° | 54.2° |
| C8 | N3 | C6 | H7 | 57.2° | 54.1° |
| C8 | N3 | C6 | H8 | 62.4° | 65.9° |
| N3 | C8 | H11 | H12 | 118.9° | 120.0° |
| N3 | C6 | C7 | H7 | 120.2° | 120.1° |
| N3 | C6 | C7 | H8 | 120.2° | 120.0° |
| C6 | N3 | C5 | C4 | 62.8° | 61.7° |
| N3 | C6 | C7 | C3 | 59.3° | 59.1° |
| C6 | N3 | C5 | H5 | 57.2° | 58.3° |
| C6 | N3 | C5 | H6 | 177.4° | 178.3° |
| N3 | C6 | H7 | H8 | 119.4° | 120.0° |
| N3 | C6 | C7 | H9 | 60.8° | 60.8° |
| N3 | C6 | C7 | H10 | 179.3° | 179.1° |
| C6 | N3 | C8 | H11 | 59.0° | 70.1° |
| C6 | N3 | C8 | H12 | 178.3° | 50.0° |
| C5 | N3 | C6 | C7 | 62.8° | 61.7° |
| N3 | C5 | C4 | H5 | 119.9° | 120.0° |
| N3 | C5 | C4 | H6 | 119.9° | 120.0° |
| N3 | C5 | C4 | C3 | 61.1° | 59.1° |
| N3 | C5 | C4 | H3 | 178.7° | 179.1° |
| N3 | C5 | C4 | H4 | 59.2° | 60.8° |
| N3 | C5 | H5 | H6 | 120.3° | 120.0° |
| C5 | N3 | C6 | H7 | 177.0° | 178.2° |
| C5 | N3 | C6 | H8 | 57.4° | 58.2° |
| C5 | N3 | C8 | H11 | 61.5° | 54.2° |
| C5 | N3 | C8 | H12 | 57.8° | 174.2° |
| C6 | C7 | C3 | H9 | 120.1° | 119.9° |
| C6 | C7 | C3 | H10 | 120.1° | 119.9° |
| C6 | C7 | C3 | C4 | 54.8° | 57.6° |
| C6 | C7 | C3 | N2 | 168.9° | 177.6° |
| C7 | C6 | H7 | H8 | 119.4° | 119.9° |
| C6 | C7 | H9 | H10 | 119.7° | 120.1° |
| C6 | C7 | C3 | H19 | 67.2° | 62.3° |
| C5 | C4 | C3 | C7 | 56.5° | 57.6° |
| C5 | C4 | C3 | H3 | 120.3° | 120.0° |
| C5 | C4 | C3 | H4 | 120.3° | 120.0° |
| C5 | C4 | C3 | N2 | 172.7° | 177.6° |
| C5 | C4 | H3 | H4 | 119.2° | 120.1° |
| C4 | C5 | H5 | H6 | 120.3° | 120.0° |
| C5 | C4 | C3 | H19 | 65.5° | 62.3° |
| C7 | C3 | C4 | N2 | 116.2° | 120.0° |
| C7 | C3 | C4 | H19 | 122.0° | 119.9° |
| C7 | C3 | N2 | H19 | 123.4° | 120.1° |
| C7 | C3 | N2 | C2 | 130.3° | 85.3° |
| C7 | C3 | C4 | H3 | 176.8° | 177.6° |
| C7 | C3 | C4 | H4 | 63.7° | 62.4° |
| C3 | C7 | C6 | H7 | 179.5° | 179.2° |
| C3 | C7 | C6 | H8 | 60.9° | 60.8° |
| C3 | C7 | H9 | H10 | 119.7° | 120.1° |
| C7 | C3 | N2 | H18 | 49.7° | 94.7° |
| C4 | C3 | N2 | H19 | 121.2° | 120.1° |
| C4 | C3 | N2 | C2 | 114.2° | 155.0° |
| C3 | C4 | H3 | H4 | 119.1° | 120.0° |
| C3 | C4 | C5 | H5 | 58.8° | 60.9° |
| C3 | C4 | C5 | H6 | 179.0° | 179.2° |
| C4 | C3 | C7 | H9 | 65.3° | 62.3° |
| C4 | C3 | C7 | H10 | 174.9° | 177.5° |
| C4 | C3 | N2 | H18 | 65.7° | 25.0° |
| C3 | N2 | C2 | H18 | 180.0° | 180.0° |
| C3 | N2 | C2 | O1 | 5.0° | 0.0° |
| C3 | N2 | C2 | N1 | 173.7° | 180.0° |
| N2 | C3 | C4 | H3 | 67.0° | 62.5° |
| N2 | C3 | C4 | H4 | 52.5° | 57.6° |
| N2 | C3 | C7 | H9 | 48.8° | 57.6° |
| N2 | C3 | C7 | H10 | 71.1° | 62.5° |
| N2 | C2 | O1 | N1 | 178.7° | 180.0° |
| N2 | C2 | N1 | C1 | 178.6° | 180.0° |
| N2 | C2 | N1 | H1 | 1.4° | 0.3° |
| C2 | N2 | C3 | H19 | 6.9° | 34.8° |
| O1 | C2 | N1 | C1 | 2.6° | 0.0° |
| O1 | C2 | N1 | H1 | 177.4° | 179.8° |
| O1 | C2 | N2 | H18 | 175.0° | 180.0° |
| C2 | N1 | C1 | H1 | 180.0° | 179.7° |
| C2 | N1 | C1 | H15 | 180.0° | 59.7° |
| C2 | N1 | C1 | H16 | 60.0° | 60.3° |
| C2 | N1 | C1 | H17 | 60.0° | 179.7° |
| N1 | C2 | N2 | H18 | 6.3° | 0.0° |
| N1 | C1 | H15 | H16 | 120.0° | 120.0° |
| N1 | C1 | H15 | H17 | 120.0° | 120.0° |
| N1 | C1 | H16 | H17 | 120.0° | 120.0° |
| H1 | N1 | C1 | H15 | 0.0° | 120.0° |
| H1 | N1 | C1 | H16 | 120.0° | 120.0° |
| H1 | N1 | C1 | H17 | 120.0° | 0.0° |
| H3 | C4 | C5 | H5 | 61.4° | 59.1° |
| H3 | C4 | C5 | H6 | 58.8° | 60.9° |
| H3 | C4 | C3 | H19 | 54.8° | 57.7° |
| H4 | C4 | C5 | H5 | 179.1° | 179.2° |
| H4 | C4 | C5 | H6 | 60.7° | 59.2° |
| H4 | C4 | C3 | H19 | 174.2° | 177.7° |
| H7 | C6 | C7 | H9 | 59.4° | 59.3° |
| H7 | C6 | C7 | H10 | 60.5° | 60.9° |
| H8 | C6 | C7 | H9 | 179.0° | 179.2° |
| H8 | C6 | C7 | H10 | 59.2° | 59.1° |
| H9 | C7 | C3 | H19 | 172.7° | 177.8° |
| H10 | C7 | C3 | H19 | 52.8° | 57.7° |
| H13 | C10 | C11 | H20 | 0.4° | 0.2° |
| H14 | C13 | C12 | H21 | 0.2° | 0.6° |
| H14 | C13 | C14 | H22 | 0.3° | 0.6° |
| H15 | C1 | H16 | H17 | 120.0° | 120.0° |
| H18 | N2 | C3 | H19 | 173.1° | 145.2° |
| H20 | C11 | C12 | H21 | 0.1° | 0.3° |
