CHV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C10 | doub | 1.36Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| O12 | C8 | sing | 1.36Å | 1.36Å | |
| C8 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| O20 | C15 | sing | 1.36Å | 1.36Å | |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.46Å | 1.43Å | |
| C4 | C5 | doub | 1.41Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| CL1 | C17 | sing | 1.74Å | 1.74Å | |
| C3 | C2 | doub | 1.36Å | 1.33Å | |
| C7 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | O6 | sing | 1.35Å | 1.38Å | |
| C14 | O13 | sing | 1.36Å | 1.41Å | |
| C14 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | O13 | sing | 1.36Å | 1.38Å | |
| C2 | C1 | sing | 1.42Å | 1.46Å | |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| O6 | C1 | sing | 1.34Å | 1.38Å | |
| C1 | O11 | doub | 1.22Å | 1.21Å | |
| O20 | H1 | sing | 0.97Å | 0.95Å | |
| C16 | H2 | sing | 1.08Å | 1.08Å | |
| C18 | H3 | sing | 1.08Å | 1.08Å | |
| C19 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| O12 | H7 | sing | 0.97Å | 0.95Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | C8 | 120.0° | 120.4° |
| C9 | C10 | C4 | 121.0° | 119.8° |
| C10 | C9 | H8 | 120.0° | 119.8° |
| C9 | C10 | H9 | 119.5° | 120.1° |
| C9 | C8 | O12 | 120.3° | 119.8° |
| C9 | C8 | C7 | 120.5° | 120.5° |
| C8 | C9 | H8 | 120.0° | 119.8° |
| C10 | C4 | C3 | 124.1° | 120.9° |
| C10 | C4 | C5 | 117.7° | 120.1° |
| C4 | C10 | H9 | 119.5° | 120.1° |
| O12 | C8 | C7 | 119.3° | 119.7° |
| C8 | O12 | H7 | 109.5° | 114.0° |
| C8 | C7 | C5 | 118.8° | 119.8° |
| C8 | C7 | H6 | 120.6° | 120.1° |
| O20 | C15 | C16 | 120.7° | 120.1° |
| O20 | C15 | C14 | 119.7° | 120.1° |
| C15 | O20 | H1 | 109.5° | 114.0° |
| C15 | C16 | C17 | 119.3° | 120.0° |
| C16 | C15 | C14 | 119.6° | 119.9° |
| C15 | C16 | H2 | 120.4° | 120.0° |
| C16 | C17 | CL1 | 119.1° | 119.9° |
| C16 | C17 | C18 | 121.6° | 120.1° |
| C17 | C16 | H2 | 120.3° | 120.0° |
| C3 | C4 | C5 | 118.3° | 119.0° |
| C4 | C3 | C2 | 119.3° | 118.2° |
| C4 | C3 | H5 | 120.3° | 120.9° |
| C4 | C5 | C7 | 122.1° | 119.4° |
| C4 | C5 | O6 | 121.2° | 120.0° |
| C15 | C14 | O13 | 119.5° | 120.1° |
| C15 | C14 | C19 | 120.0° | 119.9° |
| CL1 | C17 | C18 | 119.3° | 119.9° |
| C3 | C2 | O13 | 119.0° | 120.2° |
| C3 | C2 | C1 | 123.7° | 119.7° |
| C2 | C3 | H5 | 120.3° | 120.9° |
| C7 | C5 | O6 | 116.7° | 120.7° |
| C5 | C7 | H6 | 120.6° | 120.1° |
| C17 | C18 | C19 | 119.4° | 120.1° |
| C17 | C18 | H3 | 120.3° | 119.9° |
| C5 | O6 | C1 | 122.3° | 121.5° |
| O13 | C14 | C19 | 119.9° | 120.1° |
| C14 | O13 | C2 | 116.5° | 118.0° |
| C14 | C19 | C18 | 119.9° | 120.0° |
| C14 | C19 | H4 | 120.0° | 120.0° |
| O13 | C2 | C1 | 117.2° | 120.1° |
| C2 | C1 | O6 | 115.2° | 121.6° |
| C2 | C1 | O11 | 128.5° | 119.2° |
| C19 | C18 | H3 | 120.3° | 119.9° |
| C18 | C19 | H4 | 120.1° | 120.0° |
| O6 | C1 | O11 | 116.3° | 119.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | C8 | H8 | 180.0° | 180.0° |
| C9 | C10 | C4 | H9 | 180.0° | 180.0° |
| C10 | C9 | C8 | O12 | 178.5° | 180.0° |
| C10 | C9 | C8 | C7 | 0.3° | 0.0° |
| C9 | C10 | C4 | C3 | 178.7° | 180.0° |
| C9 | C10 | C4 | C5 | 0.4° | 0.0° |
| C8 | C9 | C10 | C4 | 0.1° | 0.0° |
| C9 | C8 | O12 | C7 | 178.8° | 180.0° |
| C9 | C8 | C7 | C5 | 0.4° | 0.0° |
| C9 | C8 | C7 | H6 | 179.6° | 180.0° |
| C9 | C8 | O12 | H7 | 180.0° | 89.9° |
| C8 | C9 | C10 | H9 | 179.8° | 180.0° |
| C10 | C4 | C3 | C5 | 179.2° | 180.0° |
| C10 | C4 | C3 | C2 | 178.8° | 179.9° |
| C10 | C4 | C5 | C7 | 0.3° | 0.0° |
| C10 | C4 | C5 | O6 | 179.9° | 179.7° |
| C10 | C4 | C3 | H5 | 1.3° | 0.1° |
| C4 | C10 | C9 | H8 | 179.8° | 180.0° |
| O12 | C8 | C7 | C5 | 178.4° | 180.0° |
| O12 | C8 | C7 | H6 | 1.6° | 0.0° |
| O12 | C8 | C9 | H8 | 1.5° | 0.0° |
| C8 | C7 | C5 | C4 | 0.1° | 0.0° |
| C8 | C7 | C5 | H6 | 180.0° | 180.0° |
| C8 | C7 | C5 | O6 | 179.4° | 179.7° |
| C7 | C8 | O12 | H7 | 1.2° | 90.1° |
| C7 | C8 | C9 | H8 | 179.7° | 180.0° |
| O20 | C15 | C16 | C14 | 177.5° | 180.0° |
| O20 | C15 | C16 | C17 | 174.6° | 180.0° |
| O20 | C15 | C14 | O13 | 16.4° | 0.0° |
| O20 | C15 | C14 | C19 | 172.2° | 179.7° |
| O20 | C15 | C16 | H2 | 5.4° | 0.0° |
| C15 | C16 | C17 | H2 | 180.0° | 180.0° |
| C15 | C16 | C17 | CL1 | 176.8° | 180.0° |
| C15 | C16 | C17 | C18 | 1.4° | 0.1° |
| C16 | C15 | C14 | O13 | 166.0° | 180.0° |
| C16 | C15 | C14 | C19 | 5.4° | 0.3° |
| C16 | C15 | O20 | H1 | 180.0° | 90.0° |
| C17 | C16 | C15 | C14 | 3.0° | 0.1° |
| C16 | C17 | CL1 | C18 | 178.3° | 180.0° |
| C16 | C17 | C18 | C19 | 3.4° | 0.3° |
| C16 | C17 | C18 | H3 | 176.6° | 180.0° |
| C4 | C3 | C2 | H5 | 180.0° | 179.9° |
| C3 | C4 | C5 | C7 | 178.9° | 180.0° |
| C3 | C4 | C5 | O6 | 0.6° | 0.2° |
| C4 | C3 | C2 | O13 | 175.3° | 180.0° |
| C4 | C3 | C2 | C1 | 1.6° | 0.1° |
| C3 | C4 | C10 | H9 | 1.3° | 0.1° |
| C5 | C4 | C3 | C2 | 0.4° | 0.1° |
| C4 | C5 | C7 | O6 | 179.6° | 179.8° |
| C4 | C5 | O6 | C1 | 0.5° | 0.5° |
| C5 | C4 | C3 | H5 | 179.6° | 179.9° |
| C4 | C5 | C7 | H6 | 179.9° | 180.0° |
| C5 | C4 | C10 | H9 | 179.6° | 180.0° |
| C15 | C14 | O13 | C19 | 171.4° | 179.8° |
| C15 | C14 | O13 | C2 | 100.0° | 174.6° |
| C15 | C14 | C19 | C18 | 3.4° | 0.5° |
| C14 | C15 | O20 | H1 | 2.5° | 90.0° |
| C14 | C15 | C16 | H2 | 177.0° | 180.0° |
| C15 | C14 | C19 | H4 | 176.6° | 179.8° |
| CL1 | C17 | C18 | C19 | 174.8° | 179.7° |
| CL1 | C17 | C16 | H2 | 3.2° | 0.0° |
| CL1 | C17 | C18 | H3 | 5.2° | 0.0° |
| C3 | C2 | O13 | C14 | 17.0° | 113.0° |
| C3 | C2 | O13 | C1 | 177.2° | 179.9° |
| C3 | C2 | C1 | O6 | 1.7° | 0.2° |
| C3 | C2 | C1 | O11 | 177.3° | 180.0° |
| C7 | C5 | O6 | C1 | 179.1° | 179.7° |
| C17 | C18 | C19 | C14 | 0.9° | 0.5° |
| C17 | C18 | C19 | H3 | 180.0° | 179.7° |
| C18 | C17 | C16 | H2 | 178.6° | 180.0° |
| C17 | C18 | C19 | H4 | 179.1° | 179.8° |
| C5 | O6 | C1 | C2 | 0.6° | 0.5° |
| C5 | O6 | C1 | O11 | 178.5° | 179.7° |
| O6 | C5 | C7 | H6 | 0.5° | 0.2° |
| C14 | O13 | C2 | C1 | 160.2° | 67.2° |
| O13 | C14 | C19 | C18 | 167.9° | 179.7° |
| O13 | C14 | C19 | H4 | 12.0° | 0.0° |
| C19 | C14 | O13 | C2 | 88.6° | 5.7° |
| C14 | C19 | C18 | H4 | 180.0° | 179.7° |
| C14 | C19 | C18 | H3 | 179.1° | 179.8° |
| O13 | C2 | C1 | O6 | 175.3° | 179.7° |
| O13 | C2 | C1 | O11 | 5.7° | 0.1° |
| O13 | C2 | C3 | H5 | 4.7° | 0.2° |
| C2 | C1 | O6 | O11 | 179.2° | 179.8° |
| C1 | C2 | C3 | H5 | 178.4° | 180.0° |
| H3 | C18 | C19 | H4 | 1.0° | 0.0° |
| H8 | C9 | C10 | H9 | 0.2° | 0.0° |
