6V8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C23 | sing | 1.53Å | 1.50Å | |
| C23 | C25 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| O8 | C7 | doub | 1.22Å | 1.21Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| CL6 | C6 | sing | 1.74Å | 1.81Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | doub | 1.40Å | 1.42Å | Aromatic |
| C3 | CL3 | sing | 1.74Å | 1.80Å | |
| C3 | C2 | sing | 1.40Å | 1.52Å | Aromatic |
| C2 | C7 | sing | 1.48Å | 1.51Å | |
| C7 | N9 | sing | 1.35Å | 1.37Å | |
| C21 | N20 | sing | 1.46Å | 1.46Å | |
| C21 | B26 | sing | 1.57Å | 1.62Å | |
| N20 | C18 | sing | 1.35Å | 1.35Å | |
| O27 | B26 | sing | 1.42Å | 1.54Å | |
| N9 | C10 | sing | 1.47Å | 1.45Å | |
| C10 | C18 | sing | 1.51Å | 1.54Å | |
| C18 | O19 | doub | 1.21Å | 1.26Å | |
| B26 | O28 | sing | 1.42Å | 1.56Å | |
| N9 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| N20 | H4 | sing | 0.97Å | 1.00Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| O28 | H6 | sing | 0.97Å | 0.95Å | |
| O27 | H7 | sing | 0.97Å | 0.95Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | C25 | 104.8° | 109.5° |
| C24 | C23 | C22 | 111.9° | 109.5° |
| C24 | C23 | H10 | 107.9° | 109.5° |
| C23 | C24 | H14 | 109.5° | 109.4° |
| C23 | C24 | H15 | 109.5° | 109.5° |
| C23 | C24 | H16 | 109.4° | 109.5° |
| C25 | C23 | C22 | 116.7° | 109.4° |
| C25 | C23 | H10 | 107.6° | 109.4° |
| C23 | C25 | H11 | 109.5° | 109.5° |
| C23 | C25 | H12 | 109.5° | 109.4° |
| C23 | C25 | H13 | 109.5° | 109.5° |
| C23 | C22 | C21 | 115.3° | 109.4° |
| C23 | C22 | H8 | 108.0° | 109.5° |
| C23 | C22 | H9 | 108.0° | 109.5° |
| C22 | C23 | H10 | 107.5° | 109.5° |
| O8 | C7 | C2 | 111.8° | 120.0° |
| O8 | C7 | N9 | 128.8° | 120.0° |
| C22 | C21 | N20 | 111.5° | 109.5° |
| C22 | C21 | B26 | 112.1° | 109.4° |
| C22 | C21 | H5 | 109.3° | 109.5° |
| C21 | C22 | H8 | 108.0° | 109.5° |
| C21 | C22 | H9 | 108.0° | 109.5° |
| CL6 | C6 | C5 | 122.0° | 119.9° |
| CL6 | C6 | C1 | 119.2° | 119.9° |
| C6 | C5 | C4 | 122.8° | 120.3° |
| C5 | C6 | C1 | 118.8° | 120.2° |
| C6 | C5 | H3 | 118.6° | 119.9° |
| C5 | C4 | C3 | 121.2° | 120.2° |
| C5 | C4 | H2 | 119.4° | 119.9° |
| C4 | C5 | H3 | 118.6° | 119.8° |
| C6 | C1 | C2 | 122.1° | 119.9° |
| C6 | C1 | H19 | 118.9° | 120.1° |
| C4 | C3 | CL3 | 112.4° | 120.1° |
| C4 | C3 | C2 | 116.2° | 119.9° |
| C3 | C4 | H2 | 119.4° | 119.9° |
| C1 | C2 | C3 | 118.9° | 119.7° |
| C1 | C2 | C7 | 108.7° | 120.2° |
| C2 | C1 | H19 | 118.9° | 120.1° |
| CL3 | C3 | C2 | 131.4° | 120.0° |
| C3 | C2 | C7 | 132.4° | 120.2° |
| C2 | C7 | N9 | 118.7° | 120.0° |
| C7 | N9 | C10 | 130.9° | 120.0° |
| C7 | N9 | H1 | 114.6° | 120.0° |
| N20 | C21 | B26 | 105.5° | 109.4° |
| C21 | N20 | C18 | 122.8° | 120.0° |
| C21 | N20 | H4 | 118.6° | 120.1° |
| N20 | C21 | H5 | 110.3° | 109.5° |
| C21 | B26 | O27 | 106.2° | 120.1° |
| C21 | B26 | O28 | 113.3° | 120.0° |
| B26 | C21 | H5 | 108.1° | 109.5° |
| N20 | C18 | C10 | 114.1° | 120.0° |
| N20 | C18 | O19 | 122.2° | 120.0° |
| C18 | N20 | H4 | 118.6° | 119.9° |
| O27 | B26 | O28 | 103.0° | 120.0° |
| B26 | O27 | H7 | 109.5° | 113.9° |
| N9 | C10 | C18 | 111.9° | 109.4° |
| C10 | N9 | H1 | 114.6° | 120.0° |
| N9 | C10 | H17 | 108.9° | 109.4° |
| N9 | C10 | H18 | 108.9° | 109.4° |
| C10 | C18 | O19 | 123.7° | 120.0° |
| C18 | C10 | H17 | 108.8° | 109.5° |
| C18 | C10 | H18 | 108.9° | 109.5° |
| B26 | O28 | H6 | 109.5° | 114.0° |
| H8 | C22 | H9 | 109.5° | 109.5° |
| H11 | C25 | H12 | 109.5° | 109.5° |
| H11 | C25 | H13 | 109.4° | 109.5° |
| H12 | C25 | H13 | 109.5° | 109.4° |
| H14 | C24 | H15 | 109.5° | 109.5° |
| H14 | C24 | H16 | 109.4° | 109.5° |
| H15 | C24 | H16 | 109.5° | 109.5° |
| H17 | C10 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | C25 | C22 | 124.5° | 120.0° |
| C24 | C23 | C25 | H10 | 114.7° | 120.0° |
| C24 | C23 | C22 | H10 | 118.3° | 120.0° |
| C24 | C23 | C22 | C21 | 173.6° | 66.0° |
| C24 | C23 | C22 | H8 | 52.7° | 174.0° |
| C24 | C23 | C22 | H9 | 65.6° | 54.0° |
| C24 | C23 | C25 | H11 | 180.0° | 60.0° |
| C24 | C23 | C25 | H12 | 60.0° | 60.0° |
| C24 | C23 | C25 | H13 | 60.0° | 180.0° |
| C23 | C24 | H14 | H15 | 120.0° | 120.0° |
| C23 | C24 | H14 | H16 | 120.0° | 120.0° |
| C23 | C24 | H15 | H16 | 120.0° | 120.1° |
| C25 | C23 | C22 | H10 | 120.9° | 120.0° |
| C25 | C23 | C22 | C21 | 52.8° | 174.0° |
| C25 | C23 | C22 | H8 | 68.1° | 54.0° |
| C25 | C23 | C22 | H9 | 173.7° | 66.0° |
| C23 | C25 | H11 | H12 | 120.0° | 120.0° |
| C23 | C25 | H11 | H13 | 120.0° | 120.1° |
| C23 | C25 | H12 | H13 | 120.0° | 120.0° |
| C25 | C23 | C24 | H14 | 180.0° | 65.3° |
| C25 | C23 | C24 | H15 | 60.0° | 174.7° |
| C25 | C23 | C24 | H16 | 60.0° | 54.6° |
| C23 | C22 | C21 | H8 | 120.8° | 120.0° |
| C23 | C22 | C21 | H9 | 120.9° | 120.0° |
| C23 | C22 | C21 | N20 | 69.8° | 64.3° |
| C23 | C22 | C21 | B26 | 172.2° | 175.8° |
| C23 | C22 | C21 | H5 | 52.4° | 55.8° |
| C23 | C22 | H8 | H9 | 117.4° | 120.0° |
| C22 | C23 | C25 | H11 | 55.5° | 60.0° |
| C22 | C23 | C25 | H12 | 175.6° | 180.0° |
| C22 | C23 | C25 | H13 | 64.4° | 60.0° |
| C22 | C23 | C24 | H14 | 52.6° | 54.6° |
| C22 | C23 | C24 | H15 | 67.5° | 65.3° |
| C22 | C23 | C24 | H16 | 172.5° | 174.6° |
| O8 | C7 | C2 | C1 | 67.9° | 179.9° |
| O8 | C7 | C2 | C3 | 111.1° | 0.0° |
| O8 | C7 | C2 | N9 | 171.0° | 180.0° |
| O8 | C7 | N9 | C10 | 8.3° | 0.0° |
| O8 | C7 | N9 | H1 | 171.6° | 179.7° |
| C22 | C21 | N20 | B26 | 121.9° | 119.9° |
| C22 | C21 | N20 | H5 | 121.6° | 120.0° |
| C22 | C21 | B26 | H5 | 120.5° | 120.0° |
| C22 | C21 | N20 | C18 | 129.5° | 135.0° |
| C22 | C21 | B26 | O27 | 58.8° | 84.7° |
| C22 | C21 | B26 | O28 | 171.1° | 95.3° |
| C22 | C21 | N20 | H4 | 50.5° | 44.9° |
| C21 | C22 | H8 | H9 | 117.4° | 120.0° |
| C21 | C22 | C23 | H10 | 68.1° | 54.0° |
| CL6 | C6 | C5 | C1 | 179.6° | 179.3° |
| CL6 | C6 | C5 | C4 | 178.3° | 179.8° |
| CL6 | C6 | C1 | C2 | 178.2° | 180.0° |
| CL6 | C6 | C5 | H3 | 1.7° | 0.2° |
| CL6 | C6 | C1 | H19 | 1.9° | 0.7° |
| C6 | C5 | C4 | H3 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.5° | 0.0° |
| C5 | C6 | C1 | C2 | 2.2° | 0.7° |
| C6 | C5 | C4 | H2 | 179.5° | 179.8° |
| C5 | C6 | C1 | H19 | 177.7° | 180.0° |
| C4 | C5 | C6 | C1 | 2.1° | 0.5° |
| C5 | C4 | C3 | H2 | 180.0° | 179.8° |
| C5 | C4 | C3 | CL3 | 179.5° | 179.7° |
| C5 | C4 | C3 | C2 | 0.9° | 0.2° |
| C6 | C1 | C2 | H19 | 180.0° | 179.3° |
| C6 | C1 | C2 | C3 | 0.8° | 0.5° |
| C6 | C1 | C2 | C7 | 178.4° | 179.5° |
| C1 | C6 | C5 | H3 | 177.9° | 179.5° |
| C4 | C3 | C2 | C1 | 0.8° | 0.0° |
| C4 | C3 | CL3 | C2 | 179.5° | 179.9° |
| C4 | C3 | C2 | C7 | 179.8° | 179.9° |
| C3 | C4 | C5 | H3 | 179.5° | 179.9° |
| C1 | C2 | C3 | CL3 | 179.7° | 179.9° |
| C1 | C2 | C3 | C7 | 179.0° | 180.0° |
| C1 | C2 | C7 | N9 | 103.1° | 0.0° |
| CL3 | C3 | C2 | C7 | 0.7° | 0.0° |
| CL3 | C3 | C4 | H2 | 0.5° | 0.1° |
| C3 | C2 | C7 | N9 | 77.9° | 180.0° |
| C2 | C3 | C4 | H2 | 179.1° | 180.0° |
| C3 | C2 | C1 | H19 | 179.2° | 179.8° |
| C2 | C7 | N9 | C10 | 177.6° | 180.0° |
| C2 | C7 | N9 | H1 | 2.4° | 0.3° |
| C7 | C2 | C1 | H19 | 1.6° | 0.2° |
| C7 | N9 | C10 | H1 | 180.0° | 179.7° |
| C7 | N9 | C10 | C18 | 97.3° | 179.7° |
| C7 | N9 | C10 | H17 | 23.0° | 59.8° |
| C7 | N9 | C10 | H18 | 142.3° | 60.3° |
| N20 | C21 | B26 | H5 | 118.0° | 120.0° |
| C21 | N20 | C18 | H4 | 180.0° | 180.0° |
| N20 | C21 | B26 | O27 | 62.7° | 35.2° |
| C21 | N20 | C18 | C10 | 178.4° | 180.0° |
| C21 | N20 | C18 | O19 | 2.1° | 0.0° |
| N20 | C21 | B26 | O28 | 49.6° | 144.8° |
| N20 | C21 | C22 | H8 | 169.3° | 55.7° |
| N20 | C21 | C22 | H9 | 51.0° | 175.7° |
| B26 | C21 | N20 | C18 | 108.7° | 105.0° |
| C21 | B26 | O27 | O28 | 119.3° | 180.0° |
| B26 | C21 | N20 | H4 | 71.3° | 75.0° |
| C21 | B26 | O28 | H6 | 180.0° | 4.9° |
| C21 | B26 | O27 | H7 | 180.0° | 0.0° |
| B26 | C21 | C22 | H8 | 51.4° | 64.3° |
| B26 | C21 | C22 | H9 | 66.9° | 55.8° |
| N20 | C18 | C10 | N9 | 128.6° | 180.0° |
| N20 | C18 | C10 | O19 | 179.5° | 180.0° |
| C18 | N20 | C21 | H5 | 7.9° | 15.0° |
| N20 | C18 | C10 | H17 | 8.2° | 60.1° |
| N20 | C18 | C10 | H18 | 111.0° | 60.0° |
| O27 | B26 | C21 | H5 | 179.3° | 155.3° |
| O27 | B26 | O28 | H6 | 65.8° | 175.1° |
| N9 | C10 | C18 | H17 | 120.4° | 119.9° |
| N9 | C10 | C18 | H18 | 120.4° | 120.0° |
| N9 | C10 | C18 | O19 | 50.9° | 0.0° |
| N9 | C10 | H17 | H18 | 118.9° | 120.0° |
| C18 | C10 | N9 | H1 | 82.7° | 0.0° |
| C10 | C18 | N20 | H4 | 1.6° | 0.0° |
| C18 | C10 | H17 | H18 | 118.9° | 120.1° |
| O19 | C18 | N20 | H4 | 177.9° | 180.0° |
| O19 | C18 | C10 | H17 | 171.2° | 119.9° |
| O19 | C18 | C10 | H18 | 69.5° | 120.0° |
| O28 | B26 | C21 | H5 | 68.4° | 24.8° |
| O28 | B26 | O27 | H7 | 60.7° | 180.0° |
| H1 | N9 | C10 | H17 | 157.0° | 119.9° |
| H1 | N9 | C10 | H18 | 37.7° | 120.0° |
| H2 | C4 | C5 | H3 | 0.5° | 0.3° |
| H4 | N20 | C21 | H5 | 172.1° | 165.0° |
| H5 | C21 | C22 | H8 | 68.5° | 175.7° |
| H5 | C21 | C22 | H9 | 173.2° | 64.3° |
| H8 | C22 | C23 | H10 | 171.0° | 66.0° |
| H9 | C22 | C23 | H10 | 52.8° | 174.0° |
| H10 | C23 | C25 | H11 | 65.3° | 180.0° |
| H10 | C23 | C25 | H12 | 54.7° | 60.0° |
| H10 | C23 | C25 | H13 | 174.7° | 60.0° |
| H10 | C23 | C24 | H14 | 65.5° | 174.7° |
| H10 | C23 | C24 | H15 | 174.5° | 54.7° |
| H10 | C23 | C24 | H16 | 54.5° | 65.3° |
| H11 | C25 | H12 | H13 | 120.0° | 120.0° |
| H14 | C24 | H15 | H16 | 120.0° | 120.0° |
