VXV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O17 | C16 | sing | 1.36Å | 1.41Å | |
| CL14 | C13 | sing | 1.74Å | 1.70Å | |
| C15 | C16 | doub | 1.39Å | 1.33Å | Aromatic |
| C15 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C18 | sing | 1.39Å | 1.37Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.50Å | |
| C10 | C09 | sing | 1.53Å | 1.50Å | |
| C09 | C08 | sing | 1.53Å | 1.55Å | |
| O23 | C04 | doub | 1.21Å | 1.25Å | |
| C04 | N03 | sing | 1.34Å | 1.40Å | |
| C04 | C05 | sing | 1.47Å | 1.45Å | |
| C08 | N07 | sing | 1.47Å | 1.44Å | |
| N03 | C02 | sing | 1.35Å | 1.34Å | |
| N07 | C06 | sing | 1.39Å | 1.45Å | |
| C05 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C22 | sing | 1.41Å | 1.43Å | Aromatic |
| C06 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C02 | O01 | doub | 1.21Å | 1.23Å | |
| C02 | C22 | sing | 1.48Å | 1.50Å | |
| C22 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.43Å | Aromatic |
| C08 | H1 | sing | 1.09Å | 1.10Å | |
| C08 | H2 | sing | 1.09Å | 1.10Å | |
| C09 | H3 | sing | 1.09Å | 1.10Å | |
| C09 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| N03 | H13 | sing | 0.97Å | 1.00Å | |
| N07 | H14 | sing | 0.97Å | 1.00Å | |
| O17 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | C16 | C15 | 117.0° | 120.0° |
| O17 | C16 | C18 | 118.0° | 120.1° |
| C16 | O17 | H15 | 109.5° | 114.0° |
| CL14 | C13 | C15 | 116.5° | 120.0° |
| CL14 | C13 | C12 | 119.5° | 120.0° |
| C16 | C15 | C13 | 115.1° | 119.9° |
| C15 | C16 | C18 | 125.0° | 119.9° |
| C16 | C15 | H8 | 122.4° | 120.0° |
| C15 | C13 | C12 | 124.0° | 120.0° |
| C13 | C15 | H8 | 122.4° | 120.1° |
| C16 | C18 | C11 | 119.1° | 120.0° |
| C16 | C18 | H9 | 120.5° | 120.0° |
| C13 | C12 | C11 | 117.6° | 120.1° |
| C13 | C12 | H7 | 121.1° | 119.9° |
| C18 | C11 | C12 | 119.2° | 120.1° |
| C18 | C11 | C10 | 121.5° | 120.0° |
| C11 | C18 | H9 | 120.5° | 120.1° |
| C12 | C11 | C10 | 119.3° | 120.0° |
| C11 | C12 | H7 | 121.2° | 119.9° |
| C11 | C10 | C09 | 118.9° | 109.5° |
| C11 | C10 | H5 | 107.0° | 109.5° |
| C11 | C10 | H6 | 107.0° | 109.5° |
| C10 | C09 | C08 | 113.5° | 109.4° |
| C10 | C09 | H3 | 108.4° | 109.5° |
| C10 | C09 | H4 | 108.5° | 109.4° |
| C09 | C10 | H5 | 107.1° | 109.5° |
| C09 | C10 | H6 | 107.1° | 109.4° |
| C09 | C08 | N07 | 110.5° | 109.4° |
| C09 | C08 | H1 | 109.2° | 109.5° |
| C09 | C08 | H2 | 109.2° | 109.5° |
| C08 | C09 | H3 | 108.5° | 109.5° |
| C08 | C09 | H4 | 108.4° | 109.5° |
| O23 | C04 | N03 | 121.2° | 125.7° |
| O23 | C04 | C05 | 126.8° | 125.6° |
| N03 | C04 | C05 | 111.9° | 108.7° |
| C04 | N03 | C02 | 107.0° | 111.2° |
| C04 | N03 | H13 | 126.5° | 124.5° |
| C04 | C05 | C06 | 134.0° | 134.4° |
| C04 | C05 | C22 | 104.5° | 105.9° |
| C08 | N07 | C06 | 127.3° | 120.0° |
| N07 | C08 | H1 | 109.2° | 109.5° |
| N07 | C08 | H2 | 109.2° | 109.4° |
| C08 | N07 | H14 | 104.8° | 120.0° |
| N03 | C02 | O01 | 119.2° | 125.8° |
| N03 | C02 | C22 | 110.3° | 108.4° |
| C02 | N03 | H13 | 126.5° | 124.4° |
| N07 | C06 | C05 | 120.4° | 120.2° |
| N07 | C06 | C19 | 120.1° | 120.3° |
| C06 | N07 | H14 | 104.8° | 120.0° |
| C06 | C05 | C22 | 121.4° | 119.7° |
| C05 | C06 | C19 | 119.6° | 119.5° |
| C05 | C22 | C02 | 106.2° | 105.8° |
| C05 | C22 | C21 | 119.2° | 119.9° |
| C06 | C19 | C20 | 120.0° | 120.4° |
| C06 | C19 | H10 | 120.0° | 119.8° |
| O01 | C02 | C22 | 130.5° | 125.8° |
| C02 | C22 | C21 | 134.6° | 134.3° |
| C22 | C21 | C20 | 120.0° | 119.9° |
| C22 | C21 | H12 | 120.1° | 120.1° |
| C19 | C20 | C21 | 119.7° | 120.6° |
| C20 | C19 | H10 | 120.0° | 119.8° |
| C19 | C20 | H11 | 120.1° | 119.7° |
| C21 | C20 | H11 | 120.2° | 119.7° |
| C20 | C21 | H12 | 120.0° | 120.0° |
| H1 | C08 | H2 | 109.5° | 109.5° |
| H3 | C09 | H4 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | C16 | C15 | C18 | 179.4° | 179.8° |
| O17 | C16 | C15 | C13 | 178.9° | 180.0° |
| O17 | C16 | C18 | C11 | 179.9° | 179.8° |
| O17 | C16 | C15 | H8 | 1.1° | 0.2° |
| O17 | C16 | C18 | H9 | 0.1° | 0.2° |
| CL14 | C13 | C15 | C16 | 179.5° | 180.0° |
| CL14 | C13 | C15 | C12 | 179.5° | 180.0° |
| CL14 | C13 | C12 | C11 | 179.9° | 180.0° |
| CL14 | C13 | C12 | H7 | 0.1° | 0.0° |
| CL14 | C13 | C15 | H8 | 0.5° | 0.2° |
| C16 | C15 | C13 | H8 | 180.0° | 179.8° |
| C16 | C15 | C13 | C12 | 0.9° | 0.0° |
| C15 | C16 | C18 | C11 | 0.5° | 0.5° |
| C15 | C16 | C18 | H9 | 179.5° | 180.0° |
| C15 | C16 | O17 | H15 | 180.0° | 90.0° |
| C13 | C15 | C16 | C18 | 0.5° | 0.2° |
| C15 | C13 | C12 | C11 | 0.4° | 0.0° |
| C15 | C13 | C12 | H7 | 179.6° | 180.0° |
| C16 | C18 | C11 | H9 | 180.0° | 179.5° |
| C16 | C18 | C11 | C12 | 1.1° | 0.5° |
| C16 | C18 | C11 | C10 | 178.8° | 179.7° |
| C18 | C16 | C15 | H8 | 179.5° | 180.0° |
| C18 | C16 | O17 | H15 | 0.6° | 89.7° |
| C13 | C12 | C11 | C18 | 0.6° | 0.2° |
| C13 | C12 | C11 | H7 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 178.5° | 180.0° |
| C12 | C13 | C15 | H8 | 179.0° | 179.8° |
| C18 | C11 | C12 | C10 | 177.8° | 179.8° |
| C18 | C11 | C10 | C09 | 73.6° | 90.2° |
| C18 | C11 | C10 | H5 | 165.1° | 149.8° |
| C18 | C11 | C10 | H6 | 47.8° | 29.7° |
| C18 | C11 | C12 | H7 | 179.4° | 179.8° |
| C12 | C11 | C10 | C09 | 108.6° | 90.0° |
| C12 | C11 | C10 | H5 | 12.7° | 30.0° |
| C12 | C11 | C10 | H6 | 130.0° | 150.0° |
| C12 | C11 | C18 | H9 | 178.9° | 180.0° |
| C11 | C10 | C09 | H5 | 121.3° | 120.0° |
| C11 | C10 | C09 | H6 | 121.3° | 120.0° |
| C11 | C10 | C09 | C08 | 154.8° | 180.0° |
| C11 | C10 | C09 | H3 | 84.6° | 60.0° |
| C11 | C10 | C09 | H4 | 34.2° | 60.0° |
| C11 | C10 | H5 | H6 | 115.7° | 120.0° |
| C10 | C11 | C12 | H7 | 1.6° | 0.0° |
| C10 | C11 | C18 | H9 | 1.1° | 0.2° |
| C10 | C09 | C08 | H3 | 120.6° | 120.0° |
| C10 | C09 | C08 | H4 | 120.6° | 119.9° |
| C10 | C09 | C08 | N07 | 64.2° | 180.0° |
| C10 | C09 | C08 | H1 | 55.9° | 60.0° |
| C10 | C09 | C08 | H2 | 175.6° | 60.0° |
| C10 | C09 | H3 | H4 | 118.2° | 120.0° |
| C09 | C10 | H5 | H6 | 115.7° | 120.0° |
| C09 | C08 | N07 | H1 | 120.2° | 120.0° |
| C09 | C08 | N07 | H2 | 120.2° | 120.0° |
| C09 | C08 | N07 | C06 | 167.2° | 180.0° |
| C09 | C08 | H1 | H2 | 119.5° | 120.1° |
| C08 | C09 | H3 | H4 | 118.1° | 120.1° |
| C08 | C09 | C10 | H5 | 33.4° | 60.0° |
| C08 | C09 | C10 | H6 | 83.9° | 60.0° |
| C09 | C08 | N07 | H14 | 70.5° | 0.1° |
| O23 | C04 | N03 | C05 | 178.5° | 179.9° |
| O23 | C04 | N03 | C02 | 179.0° | 179.9° |
| O23 | C04 | C05 | C06 | 1.6° | 0.2° |
| O23 | C04 | C05 | C22 | 179.2° | 179.9° |
| O23 | C04 | N03 | H13 | 1.0° | 0.2° |
| C04 | N03 | C02 | H13 | 180.0° | 179.8° |
| N03 | C04 | C05 | C06 | 180.0° | 180.0° |
| N03 | C04 | C05 | C22 | 0.8° | 0.0° |
| C04 | N03 | C02 | O01 | 179.4° | 180.0° |
| C04 | N03 | C02 | C22 | 0.1° | 0.3° |
| C05 | C04 | N03 | C02 | 0.4° | 0.2° |
| C04 | C05 | C06 | N07 | 0.5° | 0.1° |
| C04 | C05 | C06 | C22 | 179.1° | 179.9° |
| C04 | C05 | C06 | C19 | 179.8° | 180.0° |
| C04 | C05 | C22 | C02 | 0.8° | 0.1° |
| C04 | C05 | C22 | C21 | 179.4° | 179.9° |
| C05 | C04 | N03 | H13 | 179.6° | 180.0° |
| C08 | N07 | C06 | H14 | 122.4° | 179.9° |
| C08 | N07 | C06 | C05 | 173.3° | 180.0° |
| C08 | N07 | C06 | C19 | 6.4° | 0.0° |
| N07 | C08 | H1 | H2 | 119.5° | 119.9° |
| N07 | C08 | C09 | H3 | 175.2° | 60.1° |
| N07 | C08 | C09 | H4 | 56.4° | 60.0° |
| N03 | C02 | C22 | C05 | 0.6° | 0.3° |
| N03 | C02 | O01 | C22 | 179.1° | 179.6° |
| N03 | C02 | C22 | C21 | 179.6° | 179.7° |
| N07 | C06 | C05 | C19 | 179.7° | 179.9° |
| N07 | C06 | C05 | C22 | 179.7° | 180.0° |
| N07 | C06 | C19 | C20 | 179.9° | 180.0° |
| C06 | N07 | C08 | H1 | 47.0° | 60.0° |
| C06 | N07 | C08 | H2 | 72.7° | 60.0° |
| N07 | C06 | C19 | H10 | 0.1° | 0.1° |
| C06 | C05 | C22 | C02 | 179.9° | 179.8° |
| C06 | C05 | C22 | C21 | 0.0° | 0.2° |
| C05 | C06 | C19 | C20 | 0.2° | 0.1° |
| C05 | C06 | C19 | H10 | 179.8° | 180.0° |
| C05 | C06 | N07 | H14 | 64.3° | 0.0° |
| C22 | C05 | C06 | C19 | 0.6° | 0.0° |
| C05 | C22 | C02 | O01 | 179.8° | 180.0° |
| C05 | C22 | C02 | C21 | 179.8° | 180.0° |
| C05 | C22 | C21 | C20 | 1.0° | 0.3° |
| C05 | C22 | C21 | H12 | 179.0° | 180.0° |
| C06 | C19 | C20 | H10 | 180.0° | 179.9° |
| C06 | C19 | C20 | C21 | 0.8° | 0.2° |
| C06 | C19 | C20 | H11 | 179.2° | 180.0° |
| C19 | C06 | N07 | H14 | 116.0° | 179.9° |
| O01 | C02 | C22 | C21 | 0.4° | 0.1° |
| O01 | C02 | N03 | H13 | 0.6° | 0.3° |
| C02 | C22 | C21 | C20 | 178.8° | 179.6° |
| C02 | C22 | C21 | H12 | 1.2° | 0.0° |
| C22 | C02 | N03 | H13 | 179.9° | 180.0° |
| C22 | C21 | C20 | C19 | 1.4° | 0.4° |
| C22 | C21 | C20 | H12 | 180.0° | 179.6° |
| C22 | C21 | C20 | H11 | 178.6° | 179.9° |
| C19 | C20 | C21 | H11 | 180.0° | 179.8° |
| C19 | C20 | C21 | H12 | 178.6° | 180.0° |
| C21 | C20 | C19 | H10 | 179.2° | 179.8° |
| H1 | C08 | C09 | H3 | 64.7° | 60.0° |
| H1 | C08 | C09 | H4 | 176.5° | 180.0° |
| H1 | C08 | N07 | H14 | 169.4° | 120.0° |
| H2 | C08 | C09 | H3 | 55.0° | 180.0° |
| H2 | C08 | C09 | H4 | 63.8° | 59.9° |
| H2 | C08 | N07 | H14 | 49.7° | 120.1° |
| H3 | C09 | C10 | H5 | 154.0° | NaN° |
| H3 | C09 | C10 | H6 | 36.7° | 60.0° |
| H4 | C09 | C10 | H5 | 87.2° | 60.0° |
| H4 | C09 | C10 | H6 | 155.5° | 180.0° |
| H10 | C19 | C20 | H11 | 0.8° | 0.1° |
| H11 | C20 | C21 | H12 | 1.4° | 0.2° |
