VE2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| O21 | C20 | sing | 1.36Å | 1.39Å | |
| C18 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | C03 | doub | 1.40Å | 1.38Å | Aromatic |
| C07 | C08 | sing | 1.47Å | 1.55Å | |
| C07 | C06 | doub | 1.34Å | 1.34Å | |
| C09 | C08 | doub | 1.40Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | doub | 1.39Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.47Å | 1.53Å | |
| C03 | C04 | sing | 1.39Å | 1.37Å | Aromatic |
| C03 | C02 | sing | 1.47Å | 1.53Å | |
| C08 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| O22 | C02 | doub | 1.22Å | 1.26Å | |
| C02 | O01 | sing | 1.35Å | 1.26Å | |
| C17 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C13 | sing | 1.40Å | 1.37Å | Aromatic |
| C11 | O12 | sing | 1.36Å | 1.40Å | |
| C13 | C14 | sing | 1.47Å | 1.52Å | |
| C14 | O15 | doub | 1.22Å | 1.26Å | |
| C14 | O16 | sing | 1.35Å | 1.26Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C18 | H3 | sing | 1.08Å | 1.08Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å | |
| C09 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| O01 | H11 | sing | 0.97Å | 0.95Å | |
| O12 | H12 | sing | 0.97Å | 0.95Å | |
| O16 | H13 | sing | 0.97Å | 0.95Å | |
| O21 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C19 | C20 | 119.6° | 120.3° |
| C19 | C18 | C05 | 119.4° | 120.2° |
| C19 | C18 | H3 | 120.3° | 119.9° |
| C18 | C19 | H10 | 120.3° | 119.8° |
| C19 | C20 | O21 | 121.7° | 120.0° |
| C19 | C20 | C03 | 120.2° | 120.0° |
| C20 | C19 | H10 | 120.2° | 119.9° |
| O21 | C20 | C03 | 118.2° | 120.0° |
| C20 | O21 | H14 | 109.5° | 114.0° |
| C18 | C05 | C04 | 120.4° | 120.0° |
| C18 | C05 | C06 | 123.1° | 120.0° |
| C05 | C18 | H3 | 120.3° | 119.9° |
| C20 | C03 | C04 | 120.3° | 119.8° |
| C20 | C03 | C02 | 121.4° | 120.1° |
| C08 | C07 | C06 | 113.7° | 119.9° |
| C07 | C08 | C09 | 118.2° | 120.0° |
| C07 | C08 | C17 | 121.7° | 120.0° |
| C08 | C07 | H7 | 123.1° | 120.0° |
| C07 | C06 | C05 | 112.8° | 119.9° |
| C07 | C06 | H5 | 123.6° | 120.0° |
| C06 | C07 | H7 | 123.1° | 120.0° |
| C08 | C09 | C10 | 120.0° | 120.2° |
| C09 | C08 | C17 | 120.1° | 120.0° |
| C08 | C09 | H9 | 120.0° | 119.9° |
| C09 | C10 | C11 | 119.9° | 120.3° |
| C09 | C10 | H1 | 120.0° | 119.8° |
| C10 | C09 | H9 | 120.0° | 119.9° |
| C04 | C05 | C06 | 116.5° | 120.0° |
| C05 | C04 | C03 | 120.3° | 119.7° |
| C05 | C04 | H4 | 119.9° | 120.1° |
| C05 | C06 | H5 | 123.6° | 120.0° |
| C04 | C03 | C02 | 118.3° | 120.1° |
| C03 | C04 | H4 | 119.9° | 120.2° |
| C03 | C02 | O22 | 120.6° | 120.0° |
| C03 | C02 | O01 | 118.7° | 120.0° |
| C08 | C17 | C13 | 119.0° | 119.7° |
| C08 | C17 | H2 | 120.5° | 120.1° |
| C10 | C11 | C13 | 120.1° | 120.0° |
| C10 | C11 | O12 | 121.5° | 120.0° |
| C11 | C10 | H1 | 120.0° | 119.9° |
| O22 | C02 | O01 | 120.7° | 120.0° |
| C02 | O01 | H11 | 109.5° | 117.0° |
| C17 | C13 | C11 | 120.8° | 119.8° |
| C17 | C13 | C14 | 122.9° | 120.1° |
| C13 | C17 | H2 | 120.5° | 120.2° |
| C13 | C11 | O12 | 118.4° | 120.0° |
| C11 | C13 | C14 | 116.4° | 120.1° |
| C11 | O12 | H12 | 109.5° | 114.0° |
| C13 | C14 | O15 | 120.6° | 120.0° |
| C13 | C14 | O16 | 118.8° | 120.0° |
| O15 | C14 | O16 | 120.5° | 120.0° |
| C14 | O16 | H13 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C19 | C20 | H10 | 180.0° | 179.9° |
| C18 | C19 | C20 | O21 | 179.6° | 180.0° |
| C19 | C18 | C05 | H3 | 180.0° | 179.8° |
| C18 | C19 | C20 | C03 | 0.2° | 0.1° |
| C19 | C18 | C05 | C04 | 0.2° | 0.3° |
| C19 | C18 | C05 | C06 | 180.0° | 179.8° |
| C19 | C20 | O21 | C03 | 179.8° | 179.9° |
| C20 | C19 | C18 | C05 | 0.2° | 0.0° |
| C19 | C20 | C03 | C04 | 0.1° | 0.2° |
| C19 | C20 | C03 | C02 | 179.7° | 179.7° |
| C20 | C19 | C18 | H3 | 179.8° | 179.7° |
| C19 | C20 | O21 | H14 | 177.2° | 90.0° |
| O21 | C20 | C03 | C04 | 179.8° | 179.7° |
| O21 | C20 | C03 | C02 | 0.5° | 0.2° |
| O21 | C20 | C19 | H10 | 0.3° | 0.1° |
| C18 | C05 | C06 | C07 | 14.7° | 0.0° |
| C18 | C05 | C04 | C06 | 179.9° | 179.9° |
| C18 | C05 | C04 | C03 | 0.1° | 0.6° |
| C18 | C05 | C04 | H4 | 180.0° | 179.5° |
| C18 | C05 | C06 | H5 | 165.4° | 180.0° |
| C05 | C18 | C19 | H10 | 179.8° | 180.0° |
| C20 | C03 | C04 | C05 | 0.0° | 0.5° |
| C20 | C03 | C04 | C02 | 179.8° | 179.5° |
| C20 | C03 | C02 | O22 | 5.9° | 0.4° |
| C20 | C03 | C02 | O01 | 173.9° | 179.5° |
| C20 | C03 | C04 | H4 | 180.0° | 179.5° |
| C03 | C20 | C19 | H10 | 179.9° | 180.0° |
| C03 | C20 | O21 | H14 | 3.0° | 89.9° |
| C08 | C07 | C06 | H7 | 180.0° | 180.0° |
| C07 | C08 | C09 | C17 | 179.9° | 179.8° |
| C07 | C08 | C09 | C10 | 179.8° | 179.8° |
| C08 | C07 | C06 | C05 | 179.9° | 180.0° |
| C07 | C08 | C17 | C13 | 180.0° | 180.0° |
| C07 | C08 | C17 | H2 | 0.0° | 0.1° |
| C08 | C07 | C06 | H5 | 0.1° | 0.0° |
| C07 | C08 | C09 | H9 | 0.2° | 0.0° |
| C06 | C07 | C08 | C09 | 161.3° | 0.2° |
| C07 | C06 | C05 | C04 | 165.2° | 180.0° |
| C07 | C06 | C05 | H5 | 180.0° | 180.0° |
| C06 | C07 | C08 | C17 | 18.6° | 180.0° |
| C08 | C09 | C10 | H9 | 180.0° | 179.8° |
| C08 | C09 | C10 | C11 | 0.4° | 0.5° |
| C09 | C08 | C17 | C13 | 0.2° | 0.2° |
| C08 | C09 | C10 | H1 | 179.6° | 179.8° |
| C09 | C08 | C17 | H2 | 179.9° | 179.9° |
| C09 | C08 | C07 | H7 | 18.7° | 179.8° |
| C10 | C09 | C08 | C17 | 0.3° | 0.5° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C09 | C10 | C11 | C13 | 0.3° | 0.2° |
| C09 | C10 | C11 | O12 | 179.8° | 179.7° |
| C05 | C04 | C03 | H4 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 179.8° | 180.0° |
| C04 | C05 | C18 | H3 | 179.9° | 180.0° |
| C04 | C05 | C06 | H5 | 14.8° | 0.0° |
| C06 | C05 | C04 | C03 | 179.9° | 179.5° |
| C06 | C05 | C18 | H3 | 0.0° | 0.0° |
| C06 | C05 | C04 | H4 | 0.1° | 0.5° |
| C05 | C06 | C07 | H7 | 0.1° | 0.0° |
| C04 | C03 | C02 | O22 | 173.8° | 180.0° |
| C04 | C03 | C02 | O01 | 6.4° | 0.1° |
| C03 | C02 | O22 | O01 | 179.8° | 179.9° |
| C02 | C03 | C04 | H4 | 0.2° | 0.0° |
| C03 | C02 | O01 | H11 | 179.8° | 180.0° |
| C08 | C17 | C13 | H2 | 180.0° | 179.9° |
| C08 | C17 | C13 | C11 | 0.1° | 0.0° |
| C08 | C17 | C13 | C14 | 179.7° | 180.0° |
| C17 | C08 | C07 | H7 | 161.4° | 0.0° |
| C17 | C08 | C09 | H9 | 179.7° | 179.8° |
| C10 | C11 | C13 | C17 | 0.2° | 0.0° |
| C10 | C11 | C13 | O12 | 179.9° | 180.0° |
| C10 | C11 | C13 | C14 | 179.7° | 180.0° |
| C11 | C10 | C09 | H9 | 179.6° | 179.8° |
| C10 | C11 | O12 | H12 | 180.0° | 90.0° |
| O22 | C02 | O01 | H11 | 0.0° | 0.1° |
| C17 | C13 | C11 | C14 | 179.8° | 180.0° |
| C17 | C13 | C11 | O12 | 180.0° | 180.0° |
| C17 | C13 | C14 | O15 | 6.5° | 180.0° |
| C17 | C13 | C14 | O16 | 174.2° | 0.0° |
| C11 | C13 | C14 | O15 | 173.3° | 0.0° |
| C11 | C13 | C14 | O16 | 5.9° | 180.0° |
| C13 | C11 | C10 | H1 | 179.7° | 180.0° |
| C11 | C13 | C17 | H2 | 179.9° | 179.9° |
| C13 | C11 | O12 | H12 | 0.1° | 90.0° |
| O12 | C11 | C13 | C14 | 0.2° | 0.0° |
| O12 | C11 | C10 | H1 | 0.2° | 0.0° |
| C13 | C14 | O15 | O16 | 179.3° | 180.0° |
| C14 | C13 | C17 | H2 | 0.3° | 0.1° |
| C13 | C14 | O16 | H13 | 179.3° | 179.9° |
| O15 | C14 | O16 | H13 | 0.0° | 0.1° |
| H1 | C10 | C09 | H9 | 0.4° | 0.0° |
| H3 | C18 | C19 | H10 | 0.2° | 0.2° |
| H5 | C06 | C07 | H7 | 179.9° | 180.0° |
