VXM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.21Å | 1.24Å | |
| C02 | N03 | sing | 1.35Å | 1.44Å | |
| C02 | C20 | sing | 1.48Å | 1.54Å | |
| N03 | C04 | sing | 1.34Å | 1.43Å | |
| C20 | C19 | doub | 1.38Å | 1.42Å | Aromatic |
| C20 | C05 | sing | 1.41Å | 1.44Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.44Å | Aromatic |
| C04 | C05 | sing | 1.47Å | 1.53Å | |
| C04 | O21 | doub | 1.22Å | 1.25Å | |
| C05 | C06 | doub | 1.39Å | 1.41Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.42Å | Aromatic |
| C06 | C17 | sing | 1.40Å | 1.45Å | Aromatic |
| C06 | N07 | sing | 1.39Å | 1.46Å | |
| N07 | C08 | sing | 1.47Å | 1.49Å | |
| O16 | C15 | sing | 1.36Å | 1.40Å | |
| C08 | C09 | sing | 1.51Å | 1.59Å | |
| C15 | C09 | doub | 1.39Å | 1.45Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.42Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.43Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.43Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | F12 | sing | 1.35Å | 1.42Å | |
| N03 | H1 | sing | 0.97Å | 1.00Å | |
| C08 | H2 | sing | 1.09Å | 1.10Å | |
| C08 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| N07 | H10 | sing | 0.97Å | 1.00Å | |
| O16 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | N03 | 122.2° | 125.8° |
| O01 | C02 | C20 | 128.0° | 125.8° |
| N03 | C02 | C20 | 109.8° | 108.5° |
| C02 | N03 | C04 | 107.2° | 111.1° |
| C02 | N03 | H1 | 126.4° | 124.4° |
| C02 | C20 | C19 | 133.6° | 134.3° |
| C02 | C20 | C05 | 105.9° | 105.8° |
| N03 | C04 | C05 | 110.0° | 108.7° |
| N03 | C04 | O21 | 122.2° | 125.7° |
| C04 | N03 | H1 | 126.4° | 124.5° |
| C19 | C20 | C05 | 120.5° | 119.8° |
| C20 | C19 | C18 | 119.2° | 120.0° |
| C20 | C19 | H9 | 120.4° | 120.0° |
| C20 | C05 | C04 | 107.1° | 105.9° |
| C20 | C05 | C06 | 121.1° | 119.7° |
| C19 | C18 | C17 | 119.8° | 120.6° |
| C19 | C18 | H8 | 120.1° | 119.7° |
| C18 | C19 | H9 | 120.4° | 120.0° |
| C05 | C04 | O21 | 127.8° | 125.6° |
| C04 | C05 | C06 | 131.8° | 134.4° |
| C05 | C06 | C17 | 118.4° | 119.6° |
| C05 | C06 | N07 | 119.6° | 120.2° |
| C18 | C17 | C06 | 120.9° | 120.4° |
| C18 | C17 | H6 | 119.5° | 119.8° |
| C17 | C18 | H8 | 120.1° | 119.7° |
| C17 | C06 | N07 | 121.9° | 120.2° |
| C06 | C17 | H6 | 119.5° | 119.8° |
| C06 | N07 | C08 | 128.3° | 120.0° |
| C06 | N07 | H10 | 104.6° | 120.0° |
| N07 | C08 | C09 | 113.1° | 109.5° |
| N07 | C08 | H2 | 108.5° | 109.4° |
| N07 | C08 | H3 | 108.6° | 109.4° |
| C08 | N07 | H10 | 104.6° | 120.0° |
| O16 | C15 | C09 | 118.5° | 120.1° |
| O16 | C15 | C14 | 121.2° | 120.0° |
| C15 | O16 | H11 | 109.5° | 114.0° |
| C08 | C09 | C15 | 121.9° | 120.0° |
| C08 | C09 | C10 | 120.2° | 120.0° |
| C09 | C08 | H2 | 108.6° | 109.5° |
| C09 | C08 | H3 | 108.6° | 109.5° |
| C09 | C15 | C14 | 120.4° | 120.0° |
| C15 | C09 | C10 | 117.9° | 120.0° |
| C15 | C14 | C13 | 121.0° | 119.9° |
| C15 | C14 | H7 | 119.5° | 120.1° |
| C09 | C10 | C11 | 119.2° | 120.0° |
| C09 | C10 | H4 | 120.4° | 120.0° |
| C14 | C13 | C11 | 117.1° | 120.0° |
| C14 | C13 | H5 | 121.5° | 120.0° |
| C13 | C14 | H7 | 119.5° | 120.0° |
| C10 | C11 | C13 | 124.4° | 120.1° |
| C10 | C11 | F12 | 117.9° | 120.0° |
| C11 | C10 | H4 | 120.4° | 120.0° |
| C13 | C11 | F12 | 117.7° | 119.9° |
| C11 | C13 | H5 | 121.4° | 120.0° |
| H2 | C08 | H3 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | N03 | C20 | 179.4° | 179.7° |
| O01 | C02 | N03 | C04 | 179.4° | 179.7° |
| O01 | C02 | C20 | C19 | 0.8° | 0.3° |
| O01 | C02 | C20 | C05 | 179.4° | 179.7° |
| O01 | C02 | N03 | H1 | 0.6° | 0.4° |
| C02 | N03 | C04 | H1 | 180.0° | 179.9° |
| N03 | C02 | C20 | C19 | 179.8° | 180.0° |
| N03 | C02 | C20 | C05 | 0.0° | 0.0° |
| C02 | N03 | C04 | C05 | 0.0° | 0.0° |
| C02 | N03 | C04 | O21 | 179.8° | 180.0° |
| C20 | C02 | N03 | C04 | 0.0° | 0.0° |
| C02 | C20 | C19 | C05 | 179.8° | 179.9° |
| C02 | C20 | C19 | C18 | 180.0° | 180.0° |
| C02 | C20 | C05 | C04 | 0.0° | 0.0° |
| C02 | C20 | C05 | C06 | 179.9° | 180.0° |
| C20 | C02 | N03 | H1 | 180.0° | 179.9° |
| C02 | C20 | C19 | H9 | 0.0° | 0.1° |
| N03 | C04 | C05 | C20 | 0.0° | 0.0° |
| N03 | C04 | C05 | O21 | 179.8° | 180.0° |
| N03 | C04 | C05 | C06 | 179.9° | 179.9° |
| C20 | C19 | C18 | H9 | 180.0° | 179.9° |
| C19 | C20 | C05 | C04 | 179.9° | 180.0° |
| C19 | C20 | C05 | C06 | 0.1° | 0.1° |
| C20 | C19 | C18 | C17 | 0.3° | 0.1° |
| C20 | C19 | C18 | H8 | 179.8° | 180.0° |
| C05 | C20 | C19 | C18 | 0.2° | 0.1° |
| C20 | C05 | C04 | C06 | 179.9° | 179.9° |
| C20 | C05 | C04 | O21 | 179.8° | 180.0° |
| C20 | C05 | C06 | C17 | 0.1° | 0.1° |
| C20 | C05 | C06 | N07 | 180.0° | 180.0° |
| C05 | C20 | C19 | H9 | 179.8° | 180.0° |
| C19 | C18 | C17 | H8 | 180.0° | 179.9° |
| C19 | C18 | C17 | C06 | 0.1° | 0.1° |
| C19 | C18 | C17 | H6 | 179.9° | 180.0° |
| C04 | C05 | C06 | C17 | 180.0° | 180.0° |
| C04 | C05 | C06 | N07 | 0.1° | 0.1° |
| C05 | C04 | N03 | H1 | 180.0° | 179.9° |
| O21 | C04 | C05 | C06 | 0.3° | 0.1° |
| O21 | C04 | N03 | H1 | 0.2° | 0.0° |
| C05 | C06 | C17 | C18 | 0.0° | 0.1° |
| C05 | C06 | C17 | N07 | 179.9° | 179.9° |
| C05 | C06 | N07 | C08 | 179.9° | 180.0° |
| C05 | C06 | C17 | H6 | 180.0° | 180.0° |
| C05 | C06 | N07 | H10 | 57.6° | 0.1° |
| C18 | C17 | C06 | H6 | 180.0° | 179.9° |
| C18 | C17 | C06 | N07 | 179.9° | 180.0° |
| C17 | C18 | C19 | H9 | 179.7° | 180.0° |
| C17 | C06 | N07 | C08 | 0.2° | 0.1° |
| C06 | C17 | C18 | H8 | 179.9° | 180.0° |
| C17 | C06 | N07 | H10 | 122.3° | 180.0° |
| C06 | N07 | C08 | H10 | 122.5° | 179.9° |
| C06 | N07 | C08 | C09 | 171.4° | 180.0° |
| C06 | N07 | C08 | H2 | 50.8° | 60.0° |
| C06 | N07 | C08 | H3 | 68.0° | 59.9° |
| N07 | C06 | C17 | H6 | 0.1° | 0.1° |
| N07 | C08 | C09 | H2 | 120.5° | 120.0° |
| N07 | C08 | C09 | H3 | 120.6° | 120.0° |
| N07 | C08 | C09 | C15 | 73.3° | 79.7° |
| N07 | C08 | C09 | C10 | 105.7° | 100.0° |
| N07 | C08 | H2 | H3 | 118.3° | 119.9° |
| O16 | C15 | C09 | C08 | 0.8° | 0.0° |
| O16 | C15 | C09 | C14 | 179.5° | 179.8° |
| O16 | C15 | C09 | C10 | 179.9° | 179.7° |
| O16 | C15 | C14 | C13 | 179.9° | 179.7° |
| O16 | C15 | C14 | H7 | 0.1° | 0.2° |
| C08 | C09 | C15 | C10 | 179.1° | 179.7° |
| C08 | C09 | C15 | C14 | 179.7° | 179.8° |
| C08 | C09 | C10 | C11 | 179.6° | 180.0° |
| C09 | C08 | H2 | H3 | 118.4° | 120.0° |
| C08 | C09 | C10 | H4 | 0.4° | 0.1° |
| C09 | C08 | N07 | H10 | 66.1° | 0.0° |
| C09 | C15 | C14 | C13 | 0.4° | 0.5° |
| C15 | C09 | C10 | C11 | 0.5° | 0.3° |
| C15 | C09 | C08 | H2 | 166.2° | 160.3° |
| C15 | C09 | C08 | H3 | 47.2° | 40.3° |
| C15 | C09 | C10 | H4 | 179.5° | 179.8° |
| C09 | C15 | C14 | H7 | 179.6° | 179.9° |
| C09 | C15 | O16 | H11 | 180.0° | 89.9° |
| C14 | C15 | C09 | C10 | 0.6° | 0.5° |
| C15 | C14 | C13 | H7 | 180.0° | 179.6° |
| C15 | C14 | C13 | C11 | 0.1° | 0.2° |
| C15 | C14 | C13 | H5 | 179.9° | 179.8° |
| C14 | C15 | O16 | H11 | 0.5° | 89.8° |
| C09 | C10 | C11 | H4 | 180.0° | 180.0° |
| C09 | C10 | C11 | C13 | 0.3° | 0.0° |
| C09 | C10 | C11 | F12 | 179.9° | 180.0° |
| C10 | C09 | C08 | H2 | 14.8° | 20.0° |
| C10 | C09 | C08 | H3 | 133.7° | 140.0° |
| C14 | C13 | C11 | C10 | 0.1° | 0.1° |
| C14 | C13 | C11 | H5 | 180.0° | 180.0° |
| C14 | C13 | C11 | F12 | 179.9° | 180.0° |
| C10 | C11 | C13 | F12 | 179.9° | 180.0° |
| C10 | C11 | C13 | H5 | 179.9° | 179.9° |
| C13 | C11 | C10 | H4 | 179.7° | 179.9° |
| C11 | C13 | C14 | H7 | 179.9° | 179.8° |
| F12 | C11 | C10 | H4 | 0.2° | 0.0° |
| F12 | C11 | C13 | H5 | 0.1° | 0.0° |
| H2 | C08 | N07 | H10 | 173.3° | 120.0° |
| H3 | C08 | N07 | H10 | 54.4° | 120.0° |
| H5 | C13 | C14 | H7 | 0.1° | 0.2° |
| H6 | C17 | C18 | H8 | 0.1° | 0.1° |
| H8 | C18 | C19 | H9 | 0.2° | 0.1° |
