VXP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | doub | 1.39Å | 1.43Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| O01 | C02 | doub | 1.22Å | 1.22Å | |
| C20 | C02 | sing | 1.48Å | 1.50Å | |
| C20 | C05 | doub | 1.41Å | 1.42Å | Aromatic |
| C17 | C06 | doub | 1.40Å | 1.43Å | Aromatic |
| C02 | N03 | sing | 1.35Å | 1.40Å | |
| C05 | C06 | sing | 1.39Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.47Å | 1.48Å | |
| C06 | N07 | sing | 1.39Å | 1.39Å | |
| N03 | C04 | sing | 1.34Å | 1.42Å | |
| C04 | O21 | doub | 1.22Å | 1.22Å | |
| N07 | C08 | sing | 1.47Å | 1.47Å | |
| C08 | C09 | sing | 1.51Å | 1.54Å | |
| C09 | C16 | doub | 1.38Å | 1.43Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C14 | sing | 1.39Å | 1.42Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | O15 | sing | 1.36Å | 1.38Å | |
| C14 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | CL12 | sing | 1.74Å | 1.73Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C16 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C18 | H5 | sing | 1.08Å | 1.08Å | |
| C19 | H6 | sing | 1.08Å | 1.08Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| N03 | H9 | sing | 0.97Å | 1.00Å | |
| N07 | H10 | sing | 0.97Å | 1.00Å | |
| O15 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C19 | C20 | 116.9° | 119.9° |
| C19 | C18 | C17 | 121.7° | 120.6° |
| C19 | C18 | H5 | 119.2° | 119.6° |
| C18 | C19 | H6 | 121.5° | 120.1° |
| C19 | C20 | C02 | 131.0° | 134.3° |
| C19 | C20 | C05 | 120.8° | 119.9° |
| C20 | C19 | H6 | 121.5° | 120.0° |
| C18 | C17 | C06 | 122.1° | 120.4° |
| C18 | C17 | H4 | 118.9° | 119.8° |
| C17 | C18 | H5 | 119.1° | 119.7° |
| O01 | C02 | C20 | 132.4° | 125.7° |
| O01 | C02 | N03 | 121.2° | 125.8° |
| C02 | C20 | C05 | 108.2° | 105.8° |
| C20 | C02 | N03 | 106.4° | 108.5° |
| C20 | C05 | C06 | 123.5° | 119.7° |
| C20 | C05 | C04 | 106.9° | 105.9° |
| C17 | C06 | C05 | 115.0° | 119.5° |
| C17 | C06 | N07 | 122.3° | 120.3° |
| C06 | C17 | H4 | 118.9° | 119.8° |
| C02 | N03 | C04 | 110.5° | 111.1° |
| C02 | N03 | H9 | 124.7° | 124.4° |
| C06 | C05 | C04 | 129.7° | 134.4° |
| C05 | C06 | N07 | 122.7° | 120.2° |
| C05 | C04 | N03 | 108.1° | 108.7° |
| C05 | C04 | O21 | 130.1° | 125.7° |
| C06 | N07 | C08 | 129.6° | 120.0° |
| C06 | N07 | H10 | 104.2° | 120.0° |
| N03 | C04 | O21 | 121.8° | 125.7° |
| C04 | N03 | H9 | 124.8° | 124.5° |
| N07 | C08 | C09 | 113.2° | 109.5° |
| N07 | C08 | H7 | 108.5° | 109.4° |
| N07 | C08 | H8 | 108.5° | 109.4° |
| C08 | N07 | H10 | 104.2° | 120.0° |
| C08 | C09 | C16 | 121.9° | 120.0° |
| C08 | C09 | C10 | 121.4° | 119.9° |
| C09 | C08 | H7 | 108.5° | 109.5° |
| C09 | C08 | H8 | 108.5° | 109.5° |
| C16 | C09 | C10 | 116.7° | 120.1° |
| C09 | C16 | C14 | 121.7° | 119.9° |
| C09 | C16 | H3 | 119.2° | 120.0° |
| C09 | C10 | C11 | 120.5° | 120.1° |
| C09 | C10 | H1 | 119.8° | 120.0° |
| C16 | C14 | O15 | 122.6° | 120.0° |
| C16 | C14 | C13 | 120.8° | 120.0° |
| C14 | C16 | H3 | 119.2° | 120.1° |
| C10 | C11 | C13 | 124.5° | 120.1° |
| C10 | C11 | CL12 | 117.9° | 120.0° |
| C11 | C10 | H1 | 119.8° | 119.9° |
| O15 | C14 | C13 | 116.6° | 120.0° |
| C14 | O15 | H11 | 109.5° | 114.1° |
| C14 | C13 | C11 | 115.9° | 119.9° |
| C14 | C13 | H2 | 122.0° | 120.0° |
| C13 | C11 | CL12 | 117.6° | 119.9° |
| C11 | C13 | H2 | 122.1° | 120.1° |
| H7 | C08 | H8 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C19 | C20 | H6 | 180.0° | 180.0° |
| C19 | C18 | C17 | H5 | 180.0° | 179.9° |
| C18 | C19 | C20 | C02 | 179.6° | 179.9° |
| C18 | C19 | C20 | C05 | 0.0° | 0.0° |
| C19 | C18 | C17 | C06 | 0.4° | 0.0° |
| C19 | C18 | C17 | H4 | 179.6° | 179.7° |
| C20 | C19 | C18 | C17 | 0.4° | 0.0° |
| C19 | C20 | C02 | O01 | 0.8° | 0.1° |
| C19 | C20 | C02 | C05 | 179.6° | 179.9° |
| C19 | C20 | C02 | N03 | 180.0° | 179.9° |
| C19 | C20 | C05 | C06 | 0.4° | 0.0° |
| C19 | C20 | C05 | C04 | 179.6° | 179.9° |
| C20 | C19 | C18 | H5 | 179.6° | 179.9° |
| C18 | C17 | C06 | H4 | 180.0° | 179.8° |
| C18 | C17 | C06 | C05 | 0.0° | 0.0° |
| C18 | C17 | C06 | N07 | 179.4° | 179.7° |
| C17 | C18 | C19 | H6 | 179.6° | 180.0° |
| O01 | C02 | C20 | N03 | 179.2° | 180.0° |
| O01 | C02 | C20 | C05 | 179.5° | 180.0° |
| O01 | C02 | N03 | C04 | 179.9° | 180.0° |
| O01 | C02 | N03 | H9 | 0.0° | 0.1° |
| C02 | C20 | C05 | C06 | 179.9° | 179.9° |
| C02 | C20 | C05 | C04 | 0.1° | 0.0° |
| C20 | C02 | N03 | C04 | 0.6° | 0.0° |
| C02 | C20 | C19 | H6 | 0.4° | 0.1° |
| C20 | C02 | N03 | H9 | 179.4° | 179.9° |
| C20 | C05 | C06 | C17 | 0.4° | 0.0° |
| C05 | C20 | C02 | N03 | 0.3° | 0.0° |
| C20 | C05 | C06 | C04 | 179.9° | 180.0° |
| C20 | C05 | C06 | N07 | 179.8° | 179.7° |
| C20 | C05 | C04 | N03 | 0.4° | 0.0° |
| C20 | C05 | C04 | O21 | 179.8° | 180.0° |
| C05 | C20 | C19 | H6 | 180.0° | 179.9° |
| C17 | C06 | C05 | N07 | 179.4° | 179.7° |
| C17 | C06 | C05 | C04 | 179.7° | 180.0° |
| C17 | C06 | N07 | C08 | 2.3° | 0.0° |
| C06 | C17 | C18 | H5 | 179.6° | 180.0° |
| C17 | C06 | N07 | H10 | 120.3° | 180.0° |
| C02 | N03 | C04 | C05 | 0.7° | 0.0° |
| C02 | N03 | C04 | H9 | 180.0° | 179.9° |
| C02 | N03 | C04 | O21 | 179.5° | 180.0° |
| C06 | C05 | C04 | N03 | 179.5° | 179.9° |
| C06 | C05 | C04 | O21 | 0.3° | 0.1° |
| C05 | C06 | N07 | C08 | 178.4° | 179.7° |
| C05 | C06 | C17 | H4 | 180.0° | 179.7° |
| C05 | C06 | N07 | H10 | 59.0° | 0.3° |
| C04 | C05 | C06 | N07 | 0.3° | 0.3° |
| C05 | C04 | N03 | O21 | 179.8° | 180.0° |
| C05 | C04 | N03 | H9 | 179.3° | 180.0° |
| C06 | N07 | C08 | H10 | 122.6° | 179.9° |
| C06 | N07 | C08 | C09 | 171.9° | 180.0° |
| N07 | C06 | C17 | H4 | 0.6° | 0.1° |
| C06 | N07 | C08 | H7 | 51.3° | 60.0° |
| C06 | N07 | C08 | H8 | 67.6° | 60.0° |
| O21 | C04 | N03 | H9 | 0.5° | 0.1° |
| N07 | C08 | C09 | H7 | 120.6° | 120.0° |
| N07 | C08 | C09 | H8 | 120.6° | 120.0° |
| N07 | C08 | C09 | C16 | 67.6° | 90.0° |
| N07 | C08 | C09 | C10 | 109.6° | 90.5° |
| N07 | C08 | H7 | H8 | 118.3° | 120.0° |
| C08 | C09 | C16 | C10 | 177.3° | 179.5° |
| C08 | C09 | C16 | C14 | 178.8° | 180.0° |
| C08 | C09 | C10 | C11 | 178.9° | 180.0° |
| C08 | C09 | C10 | H1 | 1.1° | 0.2° |
| C08 | C09 | C16 | H3 | 1.2° | 0.2° |
| C09 | C08 | H7 | H8 | 118.3° | 120.0° |
| C09 | C08 | N07 | H10 | 65.5° | 0.0° |
| C09 | C16 | C14 | H3 | 180.0° | 179.8° |
| C16 | C09 | C10 | C11 | 1.6° | 0.5° |
| C09 | C16 | C14 | O15 | 178.0° | 179.8° |
| C09 | C16 | C14 | C13 | 0.5° | 0.2° |
| C16 | C09 | C10 | H1 | 178.4° | 179.7° |
| C16 | C09 | C08 | H7 | 171.8° | 150.0° |
| C16 | C09 | C08 | H8 | 53.0° | 30.0° |
| C10 | C09 | C16 | C14 | 1.5° | 0.5° |
| C09 | C10 | C11 | H1 | 180.0° | 179.8° |
| C09 | C10 | C11 | C13 | 0.8° | 0.3° |
| C09 | C10 | C11 | CL12 | 178.9° | 179.7° |
| C10 | C09 | C16 | H3 | 178.6° | 179.7° |
| C10 | C09 | C08 | H7 | 11.0° | 29.5° |
| C10 | C09 | C08 | H8 | 129.8° | 149.5° |
| C16 | C14 | O15 | C13 | 178.6° | 180.0° |
| C16 | C14 | C13 | C11 | 0.3° | 0.0° |
| C16 | C14 | C13 | H2 | 179.7° | 180.0° |
| C16 | C14 | O15 | H11 | 180.0° | 90.1° |
| C10 | C11 | C13 | C14 | 0.2° | 0.0° |
| C10 | C11 | C13 | CL12 | 179.8° | 180.0° |
| C10 | C11 | C13 | H2 | 179.8° | 179.9° |
| O15 | C14 | C13 | C11 | 178.9° | 180.0° |
| O15 | C14 | C13 | H2 | 1.0° | 0.0° |
| O15 | C14 | C16 | H3 | 1.9° | 0.0° |
| C14 | C13 | C11 | H2 | 180.0° | 180.0° |
| C14 | C13 | C11 | CL12 | 179.9° | 180.0° |
| C13 | C14 | C16 | H3 | 179.5° | 180.0° |
| C13 | C14 | O15 | H11 | 1.4° | 89.9° |
| C13 | C11 | C10 | H1 | 179.2° | 179.9° |
| CL12 | C11 | C10 | H1 | 1.0° | 0.0° |
| CL12 | C11 | C13 | H2 | 0.1° | 0.0° |
| H4 | C17 | C18 | H5 | 0.4° | 0.2° |
| H5 | C18 | C19 | H6 | 0.4° | 0.1° |
| H7 | C08 | N07 | H10 | 173.9° | 120.0° |
| H8 | C08 | N07 | H10 | 55.0° | 120.0° |
