VCE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OA' | C' | sing | 1.35Å | 1.25Å | |
| OA | C | doub | 1.22Å | 1.21Å | |
| OB' | C' | doub | 1.22Å | 1.22Å | |
| OB | C | sing | 1.35Å | 1.22Å | |
| O2 | C2 | sing | 1.36Å | 1.30Å | |
| C8 | C7 | doub | 1.33Å | 1.49Å | |
| C8 | C9 | sing | 1.51Å | 1.47Å | |
| C5 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C1 | doub | 1.40Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.53Å | 1.46Å | |
| C10 | C9 | sing | 1.53Å | 1.49Å | |
| C11 | C9 | sing | 1.53Å | 1.47Å | |
| O3 | C7 | sing | 1.36Å | 1.30Å | |
| O3 | C3 | sing | 1.36Å | 1.30Å | |
| C' | C7 | sing | 1.47Å | 1.59Å | |
| C | C1 | sing | 1.47Å | 1.38Å | |
| C2 | C3 | doub | 1.39Å | 1.35Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.36Å | Aromatic |
| OA' | HOA' | sing | 0.97Å | 0.95Å | |
| OB | HOB | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OA' | C' | OB' | 116.1° | 120.0° |
| OA' | C' | C7 | 124.0° | 120.0° |
| C' | OA' | HOA' | 109.5° | 117.0° |
| OA | C | OB | 119.8° | 120.0° |
| OA | C | C1 | 119.5° | 120.0° |
| OB' | C' | C7 | 119.6° | 120.0° |
| OB | C | C1 | 120.6° | 120.0° |
| C | OB | HOB | 109.5° | 117.0° |
| O2 | C2 | C3 | 117.9° | 120.2° |
| O2 | C2 | C1 | 119.2° | 120.2° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| C7 | C8 | C9 | 125.1° | 120.0° |
| C8 | C7 | O3 | 101.6° | 120.0° |
| C8 | C7 | C' | 124.3° | 120.0° |
| C7 | C8 | H8 | 117.4° | 120.0° |
| C8 | C9 | C10 | 109.2° | 117.5° |
| C8 | C9 | C11 | 110.8° | 117.5° |
| C9 | C8 | H8 | 117.5° | 120.0° |
| C8 | C9 | H9 | 121.0° | 115.6° |
| C4 | C5 | C6 | 121.0° | 120.4° |
| C5 | C4 | C3 | 116.6° | 120.3° |
| C4 | C5 | H5 | 119.5° | 119.8° |
| C5 | C4 | H4 | 121.7° | 119.9° |
| C5 | C6 | C1 | 121.4° | 120.0° |
| C6 | C5 | H5 | 119.5° | 119.8° |
| C5 | C6 | H6 | 119.3° | 120.0° |
| C4 | C3 | O3 | 124.9° | 120.0° |
| C4 | C3 | C2 | 121.8° | 120.0° |
| C3 | C4 | H4 | 121.7° | 119.8° |
| C6 | C1 | C | 123.1° | 120.1° |
| C6 | C1 | C2 | 116.1° | 119.7° |
| C1 | C6 | H6 | 119.3° | 120.0° |
| C11 | C10 | C9 | 59.9° | 60.0° |
| C10 | C11 | C9 | 61.2° | 60.0° |
| C11 | C10 | H10 | 120.0° | 117.5° |
| C11 | C10 | H10A | 120.0° | 117.6° |
| C10 | C11 | H11 | 119.8° | 117.5° |
| C10 | C11 | H11A | 119.8° | 117.5° |
| C10 | C9 | C11 | 58.9° | 60.0° |
| C9 | C10 | H10 | 120.0° | 117.5° |
| C9 | C10 | H10A | 120.0° | 117.5° |
| C10 | C9 | H9 | 120.5° | 117.5° |
| C9 | C11 | H11 | 119.8° | 117.5° |
| C9 | C11 | H11A | 119.8° | 117.5° |
| C11 | C9 | H9 | 120.9° | 117.5° |
| C7 | O3 | C3 | 108.6° | 118.0° |
| O3 | C7 | C' | 113.5° | 120.0° |
| O3 | C3 | C2 | 113.3° | 120.0° |
| C | C1 | C2 | 120.7° | 120.2° |
| C3 | C2 | C1 | 123.0° | 119.6° |
| H10 | C10 | H10A | 109.5° | 115.5° |
| H11 | C11 | H11A | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OA' | C' | OB' | C7 | 174.3° | 180.0° |
| OA' | C' | C7 | C8 | 76.1° | 175.5° |
| OA' | C' | C7 | O3 | 159.8° | 4.6° |
| OA | C | OB | C1 | 175.3° | 179.9° |
| OA | C | C1 | C6 | 4.7° | 180.0° |
| OA | C | C1 | C2 | 172.8° | 0.1° |
| OA | C | OB | HOB | 0.0° | 0.0° |
| OB' | C' | C7 | C8 | 110.1° | 4.5° |
| OB' | C' | C7 | O3 | 14.0° | 175.5° |
| OB' | C' | OA' | HOA' | 0.0° | 0.0° |
| OB | C | C1 | C6 | 179.9° | 0.1° |
| OB | C | C1 | C2 | 2.6° | 180.0° |
| O2 | C2 | C3 | C4 | 179.4° | 180.0° |
| O2 | C2 | C1 | C6 | 178.8° | 179.9° |
| O2 | C2 | C3 | O3 | 1.7° | 0.0° |
| O2 | C2 | C1 | C | 1.1° | 0.0° |
| O2 | C2 | C3 | C1 | 179.9° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 177.6° | 111.8° |
| C7 | C8 | C9 | C11 | 114.5° | 179.6° |
| C8 | C7 | O3 | C' | 135.7° | 180.0° |
| C8 | C7 | O3 | C3 | 130.6° | 117.6° |
| C7 | C8 | C9 | H9 | 35.8° | 33.9° |
| C8 | C9 | C11 | C10 | 100.4° | 107.5° |
| C8 | C9 | C10 | H9 | 146.8° | 145.0° |
| C8 | C9 | C11 | H9 | 150.4° | 145.0° |
| C9 | C8 | C7 | O3 | 173.7° | 172.6° |
| C9 | C8 | C7 | C' | 57.2° | 7.4° |
| C8 | C9 | C10 | H10 | 147.3° | 145.0° |
| C8 | C9 | C10 | H10A | 6.2° | 0.1° |
| C8 | C9 | C11 | H11 | 9.3° | 0.0° |
| C8 | C9 | C11 | H11A | 149.8° | 145.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 1.4° | 0.0° |
| C5 | C4 | C3 | O3 | 177.4° | 180.0° |
| C5 | C4 | C3 | C2 | 1.4° | 0.0° |
| C4 | C5 | C6 | H6 | 178.6° | 180.0° |
| C6 | C5 | C4 | C3 | 0.5° | 0.0° |
| C5 | C6 | C1 | H6 | 180.0° | 180.0° |
| C5 | C6 | C1 | C | 179.8° | 180.0° |
| C5 | C6 | C1 | C2 | 2.2° | 0.1° |
| C6 | C5 | C4 | H4 | 179.6° | 180.0° |
| C4 | C3 | O3 | C7 | 2.7° | 5.7° |
| C4 | C3 | O3 | C2 | 178.9° | 180.0° |
| C4 | C3 | C2 | C1 | 0.4° | 0.1° |
| C3 | C4 | C5 | H5 | 179.5° | 179.7° |
| C6 | C1 | C | C2 | 177.5° | 179.9° |
| C6 | C1 | C2 | C3 | 1.4° | 0.1° |
| C1 | C6 | C5 | H5 | 178.6° | 179.7° |
| C11 | C10 | C9 | H10 | 109.4° | 107.5° |
| C11 | C10 | C9 | H10A | 109.5° | 107.6° |
| C10 | C11 | C9 | H11 | 109.8° | 107.5° |
| C10 | C11 | C9 | H11A | 109.8° | 107.5° |
| C11 | C10 | H10 | H10A | 144.8° | 145.7° |
| C10 | C11 | H11 | H11A | 144.1° | 145.7° |
| C11 | C10 | C9 | H9 | 109.9° | 107.5° |
| C10 | C9 | C8 | H8 | 2.4° | 68.3° |
| C9 | C10 | H10 | H10A | 144.8° | 145.6° |
| C11 | C9 | C8 | H8 | 65.5° | 0.4° |
| C9 | C11 | H11 | H11A | 144.1° | 145.7° |
| C7 | O3 | C3 | C2 | 178.4° | 174.4° |
| O3 | C7 | C8 | H8 | 6.4° | 7.4° |
| C3 | O3 | C7 | C' | 93.7° | 62.4° |
| O3 | C3 | C2 | C1 | 178.5° | 180.0° |
| O3 | C3 | C4 | H4 | 2.5° | 0.0° |
| C7 | C' | OA' | HOA' | 174.0° | 180.0° |
| C' | C7 | C8 | H8 | 122.8° | 172.6° |
| C | C1 | C2 | C3 | 179.0° | 180.0° |
| C1 | C | OB | HOB | 175.3° | 179.9° |
| C | C1 | C6 | H6 | 0.2° | 0.1° |
| C3 | C2 | O2 | HO2 | 180.0° | 90.0° |
| C2 | C3 | C4 | H4 | 178.7° | 180.0° |
| C1 | C2 | O2 | HO2 | 0.1° | 90.0° |
| C2 | C1 | C6 | H6 | 177.8° | 180.0° |
| H8 | C8 | C9 | H9 | 144.2° | 146.0° |
| H5 | C5 | C4 | H4 | 0.5° | 0.3° |
| H5 | C5 | C6 | H6 | 1.3° | 0.2° |
| H10 | C10 | C11 | H11 | 140.8° | 145.0° |
| H10 | C10 | C11 | H11A | 0.3° | 0.0° |
| H10 | C10 | C9 | H9 | 0.5° | 0.0° |
| H10A | C10 | C11 | H11 | 0.3° | 0.1° |
| H10A | C10 | C11 | H11A | 140.8° | 145.0° |
| H10A | C10 | C9 | H9 | 140.6° | 145.0° |
| H11 | C11 | C9 | H9 | 141.0° | 145.0° |
| H11A | C11 | C9 | H9 | 0.6° | 0.0° |
