TVC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | doub | 1.36Å | 1.36Å | Aromatic |
| C12 | C13 | sing | 1.41Å | 1.42Å | Aromatic |
| O1 | C | doub | 1.21Å | 1.25Å | |
| C14 | C15 | doub | 1.36Å | 1.36Å | Aromatic |
| C14 | C13 | sing | 1.41Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C15 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | C8 | doub | 1.42Å | 1.41Å | Aromatic |
| C | C1 | sing | 1.48Å | 1.51Å | |
| C | O | sing | 1.35Å | 1.25Å | |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C9 | doub | 1.36Å | 1.36Å | Aromatic |
| C6 | C5 | sing | 1.48Å | 1.48Å | |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.41Å | 1.41Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.41Å | Aromatic |
| O | H11 | sing | 0.97Å | 0.95Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H | sing | 1.08Å | 1.08Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C12 | C13 | 120.8° | 119.8° |
| C12 | C11 | C10 | 120.6° | 121.0° |
| C12 | C11 | H6 | 119.8° | 119.5° |
| C11 | C12 | H7 | 119.6° | 120.1° |
| C12 | C13 | C14 | 123.0° | 121.1° |
| C12 | C13 | C8 | 118.5° | 119.2° |
| C13 | C12 | H7 | 119.6° | 120.1° |
| O1 | C | C1 | 117.7° | 120.0° |
| O1 | C | O | 124.5° | 120.0° |
| C15 | C14 | C13 | 120.9° | 120.0° |
| C14 | C15 | C6 | 121.6° | 120.8° |
| C15 | C14 | H8 | 119.5° | 120.0° |
| C14 | C15 | H9 | 119.2° | 119.6° |
| C14 | C13 | C8 | 118.4° | 119.6° |
| C13 | C14 | H8 | 119.5° | 120.0° |
| C11 | C10 | C9 | 120.6° | 120.9° |
| C11 | C10 | H5 | 119.7° | 119.5° |
| C10 | C11 | H6 | 119.7° | 119.5° |
| C15 | C6 | C5 | 121.0° | 119.7° |
| C15 | C6 | C7 | 118.4° | 120.6° |
| C6 | C15 | H9 | 119.2° | 119.6° |
| C13 | C8 | C9 | 118.8° | 119.4° |
| C13 | C8 | C7 | 118.8° | 119.5° |
| C1 | C | O | 117.8° | 120.0° |
| C | C1 | C2 | 120.6° | 120.1° |
| C | C1 | C16 | 120.0° | 120.1° |
| C | O | H11 | 109.5° | 117.0° |
| C3 | C2 | C1 | 120.2° | 120.1° |
| C2 | C3 | C4 | 120.2° | 120.3° |
| C3 | C2 | H | 119.9° | 120.0° |
| C2 | C3 | H1 | 119.9° | 119.8° |
| C2 | C1 | C16 | 119.3° | 119.8° |
| C1 | C2 | H | 119.9° | 119.9° |
| C3 | C4 | C5 | 120.7° | 120.2° |
| C4 | C3 | H1 | 119.9° | 119.9° |
| C3 | C4 | H2 | 119.7° | 119.8° |
| C1 | C16 | C5 | 121.0° | 119.7° |
| C1 | C16 | H10 | 119.5° | 120.1° |
| C4 | C5 | C16 | 118.4° | 119.9° |
| C4 | C5 | C6 | 121.1° | 120.1° |
| C5 | C4 | H2 | 119.6° | 119.9° |
| C16 | C5 | C6 | 120.1° | 120.0° |
| C5 | C16 | H10 | 119.5° | 120.1° |
| C10 | C9 | C8 | 120.8° | 119.7° |
| C9 | C10 | H5 | 119.8° | 119.6° |
| C10 | C9 | H4 | 119.6° | 120.1° |
| C5 | C6 | C7 | 120.0° | 119.7° |
| C6 | C7 | C8 | 121.7° | 119.5° |
| C6 | C7 | H3 | 119.2° | 120.2° |
| C9 | C8 | C7 | 122.4° | 121.1° |
| C8 | C9 | H4 | 119.6° | 120.2° |
| C8 | C7 | H3 | 119.2° | 120.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C12 | C13 | H7 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 178.0° | 180.0° |
| C12 | C11 | C10 | H6 | 180.0° | 180.0° |
| C11 | C12 | C13 | C8 | 0.1° | 0.1° |
| C12 | C11 | C10 | C9 | 0.5° | 0.0° |
| C12 | C11 | C10 | H5 | 179.5° | 179.7° |
| C12 | C13 | C14 | C15 | 176.0° | 180.0° |
| C12 | C13 | C14 | C8 | 177.9° | 179.9° |
| C13 | C12 | C11 | C10 | 0.6° | 0.0° |
| C12 | C13 | C8 | C9 | 1.0° | 0.0° |
| C12 | C13 | C8 | C7 | 176.4° | 180.0° |
| C13 | C12 | C11 | H6 | 179.4° | 180.0° |
| C12 | C13 | C14 | H8 | 4.0° | 0.0° |
| O1 | C | C1 | O | 179.2° | 179.7° |
| O1 | C | C1 | C2 | 5.0° | 180.0° |
| O1 | C | C1 | C16 | 172.2° | 0.3° |
| O1 | C | O | H11 | 0.0° | 0.3° |
| C15 | C14 | C13 | H8 | 180.0° | 179.9° |
| C14 | C15 | C6 | H9 | 180.0° | 179.8° |
| C15 | C14 | C13 | C8 | 2.0° | 0.1° |
| C14 | C15 | C6 | C5 | 167.7° | 179.9° |
| C14 | C15 | C6 | C7 | 3.7° | 0.1° |
| C13 | C14 | C15 | C6 | 0.7° | 0.1° |
| C14 | C13 | C8 | C9 | 179.0° | 180.0° |
| C14 | C13 | C8 | C7 | 1.6° | 0.0° |
| C14 | C13 | C12 | H7 | 1.9° | 0.0° |
| C13 | C14 | C15 | H9 | 179.3° | 180.0° |
| C11 | C10 | C9 | H5 | 180.0° | 179.7° |
| C11 | C10 | C9 | C8 | 0.4° | 0.0° |
| C10 | C11 | C12 | H7 | 179.4° | 180.0° |
| C11 | C10 | C9 | H4 | 179.6° | 179.7° |
| C15 | C6 | C5 | C4 | 18.9° | 180.0° |
| C15 | C6 | C5 | C16 | 154.0° | 0.0° |
| C15 | C6 | C5 | C7 | 171.3° | 180.0° |
| C15 | C6 | C7 | C8 | 4.0° | 0.0° |
| C6 | C15 | C14 | H8 | 179.3° | 179.9° |
| C15 | C6 | C7 | H3 | 176.0° | 179.9° |
| C13 | C8 | C9 | C10 | 1.1° | 0.0° |
| C13 | C8 | C7 | C6 | 1.4° | 0.0° |
| C13 | C8 | C9 | C7 | 177.3° | 180.0° |
| C8 | C13 | C12 | H7 | 179.9° | 180.0° |
| C8 | C13 | C14 | H8 | 178.0° | 180.0° |
| C13 | C8 | C7 | H3 | 178.6° | 180.0° |
| C13 | C8 | C9 | H4 | 178.9° | 179.7° |
| C | C1 | C2 | C3 | 177.1° | 180.0° |
| C | C1 | C2 | C16 | 177.2° | 179.7° |
| C | C1 | C16 | C5 | 175.0° | 180.0° |
| C1 | C | O | H11 | 179.2° | 180.0° |
| C | C1 | C16 | H10 | 5.0° | 0.0° |
| C | C1 | C2 | H | 2.9° | 0.0° |
| O | C | C1 | C2 | 175.7° | 0.3° |
| O | C | C1 | C16 | 7.1° | 180.0° |
| C3 | C2 | C1 | H | 180.0° | 179.9° |
| C2 | C3 | C4 | H1 | 180.0° | 179.9° |
| C3 | C2 | C1 | C16 | 0.2° | 0.2° |
| C2 | C3 | C4 | C5 | 0.3° | 0.2° |
| C2 | C3 | C4 | H2 | 179.7° | 180.0° |
| C1 | C2 | C3 | C4 | 0.8° | 0.0° |
| C2 | C1 | C16 | C5 | 2.3° | 0.2° |
| C2 | C1 | C16 | H10 | 177.8° | 179.7° |
| C1 | C2 | C3 | H1 | 179.2° | 179.9° |
| C3 | C4 | C5 | H2 | 180.0° | 179.8° |
| C3 | C4 | C5 | C16 | 2.3° | 0.2° |
| C3 | C4 | C5 | C6 | 170.7° | 179.8° |
| C4 | C3 | C2 | H | 179.2° | 179.9° |
| C1 | C16 | C5 | C4 | 3.3° | 0.0° |
| C1 | C16 | C5 | H10 | 180.0° | 180.0° |
| C1 | C16 | C5 | C6 | 169.8° | 180.0° |
| C16 | C1 | C2 | H | 179.8° | 179.7° |
| C4 | C5 | C16 | C6 | 173.1° | 180.0° |
| C4 | C5 | C6 | C7 | 169.8° | 0.0° |
| C4 | C5 | C16 | H10 | 176.7° | 180.0° |
| C5 | C4 | C3 | H1 | 179.7° | 179.7° |
| C16 | C5 | C6 | C7 | 17.2° | 180.0° |
| C16 | C5 | C4 | H2 | 177.7° | 180.0° |
| C10 | C9 | C8 | H4 | 180.0° | 179.7° |
| C10 | C9 | C8 | C7 | 176.2° | 180.0° |
| C9 | C10 | C11 | H6 | 179.5° | 180.0° |
| C5 | C6 | C7 | C8 | 167.5° | 180.0° |
| C5 | C6 | C15 | H9 | 12.2° | 0.1° |
| C6 | C5 | C16 | H10 | 10.2° | 0.1° |
| C6 | C5 | C4 | H2 | 9.2° | 0.0° |
| C5 | C6 | C7 | H3 | 12.5° | 0.1° |
| C6 | C7 | C8 | C9 | 175.9° | 180.0° |
| C6 | C7 | C8 | H3 | 180.0° | 179.9° |
| C7 | C6 | C15 | H9 | 176.4° | 179.9° |
| C8 | C9 | C10 | H5 | 179.6° | 179.7° |
| C9 | C8 | C7 | H3 | 4.1° | 0.1° |
| C7 | C8 | C9 | H4 | 3.8° | 0.3° |
| H5 | C10 | C11 | H6 | 0.5° | 0.3° |
| H5 | C10 | C9 | H4 | 0.4° | 0.0° |
| H6 | C11 | C12 | H7 | 0.6° | 0.0° |
| H8 | C14 | C15 | H9 | 0.7° | 0.1° |
| H | C2 | C3 | H1 | 0.8° | 0.0° |
| H1 | C3 | C4 | H2 | 0.2° | 0.1° |
