XV5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | O1 | sing | 1.35Å | 1.39Å | |
| C5 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| O1 | C8 | sing | 1.35Å | 1.39Å | |
| C6 | C7 | sing | 1.47Å | 1.46Å | |
| O3 | C15 | sing | 1.36Å | 1.36Å | |
| C7 | C8 | sing | 1.42Å | 1.47Å | |
| C7 | O2 | doub | 1.22Å | 1.23Å | |
| C8 | C9 | doub | 1.36Å | 1.33Å | |
| C9 | C10 | sing | 1.46Å | 1.46Å | |
| C15 | C10 | doub | 1.41Å | 1.41Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | O4 | sing | 1.36Å | 1.35Å | |
| C12 | O5 | sing | 1.36Å | 1.35Å | |
| C9 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H4 | sing | 1.08Å | 1.08Å | |
| O5 | H5 | sing | 0.97Å | 0.95Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| O4 | H7 | sing | 0.97Å | 0.95Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | C2 | 120.5° | 120.7° |
| C3 | C4 | C5 | 117.9° | 120.1° |
| C3 | C4 | H6 | 121.0° | 119.9° |
| C4 | C3 | H8 | 119.7° | 119.6° |
| C3 | C2 | C1 | 120.9° | 120.2° |
| C2 | C3 | H8 | 119.7° | 119.7° |
| C3 | C2 | H10 | 119.6° | 119.9° |
| C4 | C5 | O1 | 125.9° | 132.1° |
| C4 | C5 | C6 | 122.4° | 119.1° |
| C5 | C4 | H6 | 121.0° | 119.9° |
| C2 | C1 | C6 | 119.2° | 119.6° |
| C2 | C1 | H4 | 120.4° | 120.2° |
| C1 | C2 | H10 | 119.6° | 119.9° |
| O1 | C5 | C6 | 111.5° | 108.8° |
| C5 | O1 | C8 | 106.4° | 111.5° |
| C5 | C6 | C1 | 119.0° | 120.3° |
| C5 | C6 | C7 | 107.1° | 106.1° |
| C1 | C6 | C7 | 132.9° | 133.6° |
| C6 | C1 | H4 | 120.4° | 120.2° |
| O1 | C8 | C7 | 109.7° | 108.4° |
| O1 | C8 | C9 | 123.4° | 125.8° |
| C6 | C7 | C8 | 103.9° | 105.1° |
| C6 | C7 | O2 | 129.3° | 127.4° |
| O3 | C15 | C10 | 120.5° | 120.1° |
| O3 | C15 | C14 | 118.8° | 120.1° |
| C15 | O3 | H9 | 109.5° | 114.0° |
| C8 | C7 | O2 | 126.7° | 127.4° |
| C7 | C8 | C9 | 126.4° | 125.8° |
| C8 | C9 | C10 | 131.5° | 120.0° |
| C8 | C9 | H2 | 114.2° | 120.0° |
| C9 | C10 | C15 | 119.6° | 120.1° |
| C9 | C10 | C11 | 121.3° | 120.2° |
| C10 | C9 | H2 | 114.3° | 120.0° |
| C10 | C15 | C14 | 120.4° | 119.9° |
| C15 | C10 | C11 | 118.7° | 119.7° |
| C15 | C14 | C13 | 120.0° | 120.1° |
| C15 | C14 | H12 | 120.0° | 120.0° |
| C10 | C11 | C12 | 120.5° | 119.9° |
| C10 | C11 | H11 | 119.7° | 120.1° |
| C14 | C13 | C12 | 120.1° | 120.3° |
| C14 | C13 | O4 | 120.1° | 119.9° |
| C13 | C14 | H12 | 120.0° | 119.9° |
| C11 | C12 | C13 | 120.0° | 120.2° |
| C11 | C12 | O5 | 120.2° | 119.9° |
| C12 | C11 | H11 | 119.8° | 120.1° |
| C12 | C13 | O4 | 119.8° | 119.8° |
| C13 | C12 | O5 | 119.4° | 119.9° |
| C13 | O4 | H7 | 109.5° | 114.1° |
| C12 | O5 | H5 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | C2 | H8 | 180.0° | 179.9° |
| C3 | C4 | C5 | H6 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.4° | 0.5° |
| C3 | C4 | C5 | O1 | 173.7° | 180.0° |
| C3 | C4 | C5 | C6 | 2.1° | 0.3° |
| C4 | C3 | C2 | H10 | 179.5° | 180.0° |
| C2 | C3 | C4 | C5 | 0.7° | 0.1° |
| C3 | C2 | C1 | H10 | 180.0° | 179.5° |
| C3 | C2 | C1 | C6 | 0.2° | 0.5° |
| C3 | C2 | C1 | H4 | 179.8° | 179.7° |
| C2 | C3 | C4 | H6 | 179.3° | 180.0° |
| C4 | C5 | O1 | C6 | 176.2° | 179.7° |
| C4 | C5 | C6 | C1 | 2.3° | 0.2° |
| C4 | C5 | O1 | C8 | 166.5° | 180.0° |
| C4 | C5 | C6 | C7 | 172.6° | 179.8° |
| C5 | C4 | C3 | H8 | 179.3° | 180.0° |
| C2 | C1 | C6 | C5 | 1.1° | 0.2° |
| C2 | C1 | C6 | H4 | 180.0° | 179.8° |
| C2 | C1 | C6 | C7 | 168.4° | 179.3° |
| C1 | C2 | C3 | H8 | 179.5° | 179.6° |
| O1 | C5 | C6 | C1 | 174.0° | 180.0° |
| O1 | C5 | C6 | C7 | 3.7° | 0.4° |
| C5 | O1 | C8 | C7 | 11.7° | 0.0° |
| C5 | O1 | C8 | C9 | 175.5° | 179.9° |
| O1 | C5 | C4 | H6 | 6.3° | 0.0° |
| C5 | C6 | C1 | C7 | 167.3° | 179.5° |
| C6 | C5 | O1 | C8 | 9.7° | 0.3° |
| C5 | C6 | C7 | C8 | 3.4° | 0.4° |
| C5 | C6 | C7 | O2 | 172.8° | 179.8° |
| C5 | C6 | C1 | H4 | 178.9° | 180.0° |
| C6 | C5 | C4 | H6 | 177.9° | 179.7° |
| C1 | C6 | C7 | C8 | 165.0° | 179.9° |
| C1 | C6 | C7 | O2 | 18.8° | 0.3° |
| C6 | C1 | C2 | H10 | 179.7° | 179.9° |
| O1 | C8 | C7 | C6 | 9.4° | 0.2° |
| O1 | C8 | C7 | C9 | 172.5° | 179.9° |
| O1 | C8 | C7 | O2 | 166.9° | 180.0° |
| O1 | C8 | C9 | C10 | 59.3° | 7.1° |
| O1 | C8 | C9 | H2 | 120.7° | 172.9° |
| C6 | C7 | C8 | O2 | 176.3° | 179.8° |
| C6 | C7 | C8 | C9 | 178.1° | 179.7° |
| C7 | C6 | C1 | H4 | 11.6° | 0.5° |
| O3 | C15 | C10 | C9 | 19.8° | 0.0° |
| O3 | C15 | C10 | C14 | 173.3° | 179.7° |
| O3 | C15 | C10 | C11 | 167.5° | 179.8° |
| O3 | C15 | C14 | C13 | 168.5° | 179.7° |
| O3 | C15 | C14 | H12 | 11.5° | 0.1° |
| C7 | C8 | C9 | C10 | 129.2° | 172.8° |
| C7 | C8 | C9 | H2 | 50.8° | 7.2° |
| O2 | C7 | C8 | C9 | 5.6° | 0.1° |
| C8 | C9 | C10 | H2 | 180.0° | 179.9° |
| C8 | C9 | C10 | C15 | 78.6° | 163.2° |
| C8 | C9 | C10 | C11 | 108.9° | 17.0° |
| C9 | C10 | C15 | C11 | 172.7° | 179.8° |
| C9 | C10 | C15 | C14 | 166.9° | 179.7° |
| C9 | C10 | C11 | C12 | 170.6° | 180.0° |
| C9 | C10 | C11 | H11 | 9.3° | 0.0° |
| C10 | C15 | C14 | C13 | 4.9° | 0.6° |
| C15 | C10 | C11 | C12 | 1.9° | 0.2° |
| C15 | C10 | C9 | H2 | 101.5° | 16.9° |
| C10 | C15 | O3 | H9 | 180.0° | 90.0° |
| C15 | C10 | C11 | H11 | 178.1° | 179.8° |
| C10 | C15 | C14 | H12 | 175.1° | 179.8° |
| C14 | C15 | C10 | C11 | 5.8° | 0.5° |
| C15 | C14 | C13 | H12 | 180.0° | 179.6° |
| C15 | C14 | C13 | C12 | 0.1° | 0.3° |
| C15 | C14 | C13 | O4 | 177.7° | 179.7° |
| C14 | C15 | O3 | H9 | 6.7° | 89.7° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 2.8° | 0.1° |
| C10 | C11 | C12 | O5 | 170.0° | 180.0° |
| C11 | C10 | C9 | H2 | 71.0° | 162.9° |
| C14 | C13 | C12 | C11 | 3.7° | 0.0° |
| C14 | C13 | C12 | O4 | 177.8° | 180.0° |
| C14 | C13 | C12 | O5 | 169.1° | 179.9° |
| C14 | C13 | O4 | H7 | 180.0° | 90.0° |
| C11 | C12 | C13 | O5 | 172.8° | 179.9° |
| C11 | C12 | C13 | O4 | 178.5° | 180.0° |
| C11 | C12 | O5 | H5 | 180.0° | 90.0° |
| C13 | C12 | O5 | H5 | 7.2° | 90.1° |
| C12 | C13 | O4 | H7 | 2.2° | 90.0° |
| C13 | C12 | C11 | H11 | 177.2° | 180.0° |
| C12 | C13 | C14 | H12 | 179.9° | 180.0° |
| O4 | C13 | C12 | O5 | 8.7° | 0.1° |
| O4 | C13 | C14 | H12 | 2.3° | 0.0° |
| O5 | C12 | C11 | H11 | 10.0° | 0.0° |
| H4 | C1 | C2 | H10 | 0.3° | 0.1° |
| H6 | C4 | C3 | H8 | 0.7° | 0.1° |
| H8 | C3 | C2 | H10 | 0.5° | 0.1° |
