2VX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C12 | S11 | sing | 1.81Å | 1.85Å | |
| O28 | S11 | doub | 1.42Å | 1.47Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| S11 | N10 | sing | 1.66Å | 1.72Å | |
| S11 | O27 | doub | 1.42Å | 1.47Å | |
| N10 | C4 | sing | 1.40Å | 1.34Å | |
| F9 | C3 | sing | 1.35Å | 1.35Å | |
| C4 | C3 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C29 | N1 | sing | 1.47Å | 1.47Å | |
| C2 | N1 | sing | 1.40Å | 1.36Å | |
| C2 | C7 | doub | 1.39Å | 1.42Å | Aromatic |
| N1 | C15 | sing | 1.40Å | 1.36Å | |
| C15 | C16 | doub | 1.39Å | 1.42Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.42Å | Aromatic |
| C16 | C17 | sing | 1.37Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.42Å | Aromatic |
| C20 | C19 | doub | 1.39Å | 1.42Å | Aromatic |
| C7 | F8 | sing | 1.35Å | 1.35Å | |
| C17 | C18 | doub | 1.40Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.41Å | 1.42Å | Aromatic |
| C19 | C24 | sing | 1.47Å | 1.51Å | |
| C18 | N21 | sing | 1.36Å | 1.41Å | |
| O26 | C24 | doub | 1.22Å | 1.23Å | |
| C24 | N23 | sing | 1.35Å | 1.39Å | |
| N21 | C22 | doub | 1.30Å | 1.30Å | |
| N23 | C22 | sing | 1.36Å | 1.39Å | |
| N23 | C25 | sing | 1.47Å | 1.47Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| N10 | H3 | sing | 0.97Å | 1.00Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C12 | S11 | 113.4° | 109.5° |
| C12 | C14 | C13 | 112.7° | 109.5° |
| C14 | C12 | H4 | 108.5° | 109.4° |
| C14 | C12 | H5 | 108.5° | 109.5° |
| C12 | C14 | H9 | 108.7° | 109.5° |
| C12 | C14 | H10 | 108.7° | 109.4° |
| C12 | S11 | O28 | 108.6° | 110.5° |
| C12 | S11 | N10 | 103.1° | 104.5° |
| C12 | S11 | O27 | 111.1° | 110.5° |
| S11 | C12 | H4 | 108.5° | 109.5° |
| S11 | C12 | H5 | 108.5° | 109.5° |
| O28 | S11 | N10 | 103.7° | 104.3° |
| O28 | S11 | O27 | 120.4° | 121.0° |
| C14 | C13 | H6 | 109.5° | 109.5° |
| C14 | C13 | H7 | 109.5° | 109.5° |
| C14 | C13 | H8 | 109.5° | 109.4° |
| C13 | C14 | H9 | 108.7° | 109.5° |
| C13 | C14 | H10 | 108.6° | 109.4° |
| N10 | S11 | O27 | 108.3° | 104.3° |
| S11 | N10 | C4 | 131.6° | 120.0° |
| S11 | N10 | H3 | 103.7° | 120.0° |
| N10 | C4 | C3 | 117.4° | 120.1° |
| N10 | C4 | C5 | 121.7° | 120.0° |
| C4 | N10 | H3 | 103.7° | 120.0° |
| F9 | C3 | C4 | 119.3° | 120.0° |
| F9 | C3 | C2 | 120.0° | 120.1° |
| C3 | C4 | C5 | 120.9° | 119.9° |
| C4 | C3 | C2 | 120.7° | 119.9° |
| C4 | C5 | C6 | 119.0° | 120.1° |
| C4 | C5 | H1 | 120.5° | 119.9° |
| C3 | C2 | N1 | 119.7° | 120.1° |
| C3 | C2 | C7 | 118.3° | 119.9° |
| C5 | C6 | C7 | 120.1° | 120.1° |
| C6 | C5 | H1 | 120.5° | 119.9° |
| C5 | C6 | H2 | 120.0° | 119.9° |
| C29 | N1 | C2 | 115.3° | 119.9° |
| C29 | N1 | C15 | 117.4° | 120.0° |
| N1 | C29 | H18 | 109.5° | 109.4° |
| N1 | C29 | H19 | 109.5° | 109.5° |
| N1 | C29 | H20 | 109.5° | 109.4° |
| N1 | C2 | C7 | 121.9° | 120.1° |
| C2 | N1 | C15 | 125.9° | 120.0° |
| C2 | C7 | C6 | 121.1° | 120.0° |
| C2 | C7 | F8 | 119.8° | 120.0° |
| N1 | C15 | C16 | 120.3° | 119.8° |
| N1 | C15 | C20 | 121.0° | 119.8° |
| C16 | C15 | C20 | 118.7° | 120.4° |
| C15 | C16 | C17 | 120.8° | 120.9° |
| C15 | C16 | H11 | 119.6° | 119.5° |
| C15 | C20 | C19 | 120.8° | 119.3° |
| C15 | C20 | H13 | 119.6° | 120.4° |
| C16 | C17 | C18 | 120.1° | 119.9° |
| C17 | C16 | H11 | 119.6° | 119.6° |
| C16 | C17 | H12 | 120.0° | 120.0° |
| C6 | C7 | F8 | 119.1° | 120.0° |
| C7 | C6 | H2 | 119.9° | 120.0° |
| C20 | C19 | C18 | 120.0° | 120.0° |
| C20 | C19 | C24 | 121.2° | 121.9° |
| C19 | C20 | H13 | 119.6° | 120.3° |
| C17 | C18 | C19 | 119.7° | 119.5° |
| C17 | C18 | N21 | 120.2° | 121.6° |
| C18 | C17 | H12 | 120.0° | 120.0° |
| C18 | C19 | C24 | 118.8° | 118.1° |
| C19 | C18 | N21 | 120.1° | 119.0° |
| C19 | C24 | O26 | 120.7° | 121.3° |
| C19 | C24 | N23 | 115.4° | 117.4° |
| C18 | N21 | C22 | 119.7° | 121.6° |
| O26 | C24 | N23 | 123.8° | 121.3° |
| C24 | N23 | C22 | 121.4° | 120.6° |
| C24 | N23 | C25 | 120.1° | 119.7° |
| N21 | C22 | N23 | 124.5° | 123.4° |
| N21 | C22 | H14 | 117.8° | 118.3° |
| C22 | N23 | C25 | 118.5° | 119.7° |
| N23 | C22 | H14 | 117.7° | 118.3° |
| N23 | C25 | H15 | 109.5° | 109.5° |
| N23 | C25 | H16 | 109.5° | 109.4° |
| N23 | C25 | H17 | 109.4° | 109.5° |
| H4 | C12 | H5 | 109.5° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.6° |
| H6 | C13 | H8 | 109.5° | 109.4° |
| H7 | C13 | H8 | 109.5° | 109.4° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H15 | C25 | H16 | 109.4° | 109.5° |
| H15 | C25 | H17 | 109.5° | 109.5° |
| H16 | C25 | H17 | 109.5° | 109.4° |
| H18 | C29 | H19 | 109.4° | 109.5° |
| H18 | C29 | H20 | 109.5° | 109.5° |
| H19 | C29 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C12 | S11 | H4 | 120.6° | 120.0° |
| C14 | C12 | S11 | H5 | 120.6° | 120.0° |
| C14 | C12 | S11 | O28 | 146.4° | 68.4° |
| C12 | C14 | C13 | H9 | 120.5° | 120.0° |
| C12 | C14 | C13 | H10 | 120.5° | 119.9° |
| C14 | C12 | S11 | N10 | 104.0° | 180.0° |
| C14 | C12 | S11 | O27 | 11.8° | 68.3° |
| C14 | C12 | H4 | H5 | 118.2° | 119.9° |
| C12 | C14 | C13 | H6 | 180.0° | 180.0° |
| C12 | C14 | C13 | H7 | 60.0° | 59.9° |
| C12 | C14 | C13 | H8 | 60.0° | 60.0° |
| C12 | C14 | H9 | H10 | 118.6° | 120.0° |
| C12 | S11 | O28 | N10 | 109.2° | 111.8° |
| C12 | S11 | O28 | O27 | 129.6° | 131.5° |
| S11 | C12 | C14 | C13 | 117.0° | 180.0° |
| C12 | S11 | N10 | O27 | 117.8° | 116.1° |
| C12 | S11 | N10 | C4 | 115.3° | 60.0° |
| C12 | S11 | N10 | H3 | 7.5° | 119.9° |
| S11 | C12 | H4 | H5 | 118.2° | 120.0° |
| S11 | C12 | C14 | H9 | 3.4° | 60.0° |
| S11 | C12 | C14 | H10 | 122.5° | 60.0° |
| O28 | S11 | N10 | O27 | 129.0° | 127.9° |
| O28 | S11 | N10 | C4 | 131.5° | 56.1° |
| O28 | S11 | N10 | H3 | 105.7° | 124.0° |
| O28 | S11 | C12 | H4 | 93.0° | 51.6° |
| O28 | S11 | C12 | H5 | 25.9° | 171.6° |
| C13 | C14 | C12 | H4 | 3.5° | 60.0° |
| C13 | C14 | C12 | H5 | 122.4° | 60.0° |
| C14 | C13 | H6 | H7 | 120.0° | 120.1° |
| C14 | C13 | H6 | H8 | 120.0° | 119.9° |
| C14 | C13 | H7 | H8 | 120.0° | 119.9° |
| C13 | C14 | H9 | H10 | 118.5° | 120.0° |
| S11 | N10 | C4 | H3 | 122.8° | 180.0° |
| S11 | N10 | C4 | C3 | 176.9° | 144.5° |
| S11 | N10 | C4 | C5 | 3.4° | 35.5° |
| N10 | S11 | C12 | H4 | 16.6° | 60.0° |
| N10 | S11 | C12 | H5 | 135.4° | 60.0° |
| O27 | S11 | N10 | C4 | 2.5° | 176.1° |
| O27 | S11 | N10 | H3 | 125.3° | 3.9° |
| O27 | S11 | C12 | H4 | 132.4° | 171.7° |
| O27 | S11 | C12 | H5 | 108.7° | 51.7° |
| N10 | C4 | C3 | F9 | 0.1° | 0.0° |
| N10 | C4 | C3 | C5 | 179.7° | 180.0° |
| N10 | C4 | C3 | C2 | 179.8° | 179.9° |
| N10 | C4 | C5 | C6 | 179.7° | 180.0° |
| N10 | C4 | C5 | H1 | 0.3° | 0.0° |
| F9 | C3 | C4 | C2 | 179.9° | 179.9° |
| F9 | C3 | C4 | C5 | 179.8° | 180.0° |
| F9 | C3 | C2 | N1 | 0.5° | 0.1° |
| F9 | C3 | C2 | C7 | 179.9° | 179.7° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C4 | C3 | C2 | N1 | 179.6° | 180.0° |
| C4 | C3 | C2 | C7 | 0.2° | 0.4° |
| C3 | C4 | C5 | H1 | 180.0° | 180.0° |
| C3 | C4 | N10 | H3 | 60.3° | 35.5° |
| C5 | C4 | C3 | C2 | 0.1° | 0.1° |
| C4 | C5 | C6 | H1 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.3° | 0.3° |
| C4 | C5 | C6 | H2 | 179.8° | 180.0° |
| C5 | C4 | N10 | H3 | 119.4° | 144.5° |
| C3 | C2 | N1 | C29 | 72.3° | 90.1° |
| C3 | C2 | N1 | C7 | 179.4° | 179.6° |
| C3 | C2 | N1 | C15 | 121.4° | 89.7° |
| C3 | C2 | C7 | C6 | 0.5° | 0.6° |
| C3 | C2 | C7 | F8 | 179.9° | 179.6° |
| C5 | C6 | C7 | C2 | 0.5° | 0.6° |
| C5 | C6 | C7 | H2 | 180.0° | 179.7° |
| C5 | C6 | C7 | F8 | 179.8° | 179.7° |
| C29 | N1 | C2 | C15 | 166.3° | 179.8° |
| C29 | N1 | C2 | C7 | 107.1° | 90.3° |
| C29 | N1 | C15 | C16 | 177.4° | 179.7° |
| C29 | N1 | C15 | C20 | 2.7° | 0.1° |
| N1 | C29 | H18 | H19 | 120.0° | 120.1° |
| N1 | C29 | H18 | H20 | 120.0° | 119.9° |
| N1 | C29 | H19 | H20 | 120.0° | 119.9° |
| C2 | N1 | C15 | C16 | 16.5° | 0.1° |
| C2 | N1 | C15 | C20 | 163.4° | 179.7° |
| N1 | C2 | C7 | C6 | 179.9° | 179.8° |
| N1 | C2 | C7 | F8 | 0.5° | 0.0° |
| C2 | N1 | C29 | H18 | 180.0° | 89.8° |
| C2 | N1 | C29 | H19 | 60.0° | 30.3° |
| C2 | N1 | C29 | H20 | 60.0° | 150.3° |
| C7 | C2 | N1 | C15 | 59.2° | 89.9° |
| C2 | C7 | C6 | F8 | 179.6° | 179.8° |
| C2 | C7 | C6 | H2 | 179.5° | 179.7° |
| N1 | C15 | C16 | C20 | 179.9° | 179.6° |
| N1 | C15 | C16 | C17 | 179.9° | 180.0° |
| N1 | C15 | C20 | C19 | 179.9° | 179.8° |
| N1 | C15 | C16 | H11 | 0.2° | 0.1° |
| N1 | C15 | C20 | H13 | 0.1° | 0.0° |
| C15 | N1 | C29 | H18 | 12.5° | 90.0° |
| C15 | N1 | C29 | H19 | 132.5° | 149.9° |
| C15 | N1 | C29 | H20 | 107.5° | 29.9° |
| C15 | C16 | C17 | H11 | 180.0° | 179.9° |
| C16 | C15 | C20 | C19 | 0.1° | 0.6° |
| C15 | C16 | C17 | C18 | 0.0° | 0.1° |
| C15 | C16 | C17 | H12 | 180.0° | 179.9° |
| C16 | C15 | C20 | H13 | 179.9° | 179.6° |
| C20 | C15 | C16 | C17 | 0.1° | 0.3° |
| C15 | C20 | C19 | H13 | 180.0° | 179.8° |
| C15 | C20 | C19 | C18 | 0.0° | 0.5° |
| C15 | C20 | C19 | C24 | 180.0° | 179.8° |
| C20 | C15 | C16 | H11 | 179.9° | 179.7° |
| C16 | C17 | C18 | H12 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.0° | 0.0° |
| C16 | C17 | C18 | N21 | 180.0° | 180.0° |
| C7 | C6 | C5 | H1 | 179.7° | 179.8° |
| C20 | C19 | C18 | C17 | 0.1° | 0.2° |
| C20 | C19 | C18 | C24 | 180.0° | 179.8° |
| C20 | C19 | C18 | N21 | 180.0° | 179.8° |
| C20 | C19 | C24 | O26 | 0.1° | 0.2° |
| C20 | C19 | C24 | N23 | 179.9° | 179.8° |
| F8 | C7 | C6 | H2 | 0.1° | 0.1° |
| C17 | C18 | C19 | N21 | 180.0° | 180.0° |
| C17 | C18 | C19 | C24 | 179.9° | 180.0° |
| C17 | C18 | N21 | C22 | 179.9° | 180.0° |
| C18 | C17 | C16 | H11 | 180.0° | 180.0° |
| C18 | C19 | C24 | O26 | 179.9° | 180.0° |
| C18 | C19 | C24 | N23 | 0.1° | 0.0° |
| C19 | C18 | N21 | C22 | 0.1° | 0.0° |
| C19 | C18 | C17 | H12 | 180.0° | 180.0° |
| C18 | C19 | C20 | H13 | 180.0° | 179.7° |
| C24 | C19 | C18 | N21 | 0.0° | 0.0° |
| C19 | C24 | O26 | N23 | 180.0° | 180.0° |
| C19 | C24 | N23 | C22 | 0.2° | 0.0° |
| C19 | C24 | N23 | C25 | 180.0° | 179.9° |
| C24 | C19 | C20 | H13 | 0.0° | 0.0° |
| C18 | N21 | C22 | N23 | 0.1° | 0.0° |
| N21 | C18 | C17 | H12 | 0.0° | 0.1° |
| C18 | N21 | C22 | H14 | 179.9° | 180.0° |
| O26 | C24 | N23 | C22 | 179.8° | 180.0° |
| O26 | C24 | N23 | C25 | 0.1° | 0.0° |
| C24 | N23 | C22 | N21 | 0.2° | 0.0° |
| C24 | N23 | C22 | C25 | 179.9° | 180.0° |
| C24 | N23 | C22 | H14 | 179.8° | 180.0° |
| C24 | N23 | C25 | H15 | 180.0° | 180.0° |
| C24 | N23 | C25 | H16 | 60.0° | 60.0° |
| C24 | N23 | C25 | H17 | 60.0° | 60.0° |
| N21 | C22 | N23 | H14 | 180.0° | 180.0° |
| N21 | C22 | N23 | C25 | 179.9° | 179.9° |
| C22 | N23 | C25 | H15 | 0.1° | 0.1° |
| C22 | N23 | C25 | H16 | 119.9° | 120.0° |
| C22 | N23 | C25 | H17 | 120.2° | 120.0° |
| C25 | N23 | C22 | H14 | 0.0° | 0.0° |
| N23 | C25 | H15 | H16 | 120.0° | 120.0° |
| N23 | C25 | H15 | H17 | 120.0° | 120.0° |
| N23 | C25 | H16 | H17 | 120.0° | 120.0° |
| H1 | C5 | C6 | H2 | 0.2° | 0.0° |
| H4 | C12 | C14 | H9 | 124.0° | 180.0° |
| H4 | C12 | C14 | H10 | 116.9° | 60.0° |
| H5 | C12 | C14 | H9 | 117.2° | 60.1° |
| H5 | C12 | C14 | H10 | 1.9° | 179.9° |
| H6 | C13 | H7 | H8 | 120.0° | 120.0° |
| H6 | C13 | C14 | H9 | 59.5° | 59.9° |
| H6 | C13 | C14 | H10 | 59.5° | 60.1° |
| H7 | C13 | C14 | H9 | 179.5° | 180.0° |
| H7 | C13 | C14 | H10 | 60.5° | 60.0° |
| H8 | C13 | C14 | H9 | 60.5° | 60.0° |
| H8 | C13 | C14 | H10 | 179.5° | 179.9° |
| H11 | C16 | C17 | H12 | 0.1° | 0.0° |
| H15 | C25 | H16 | H17 | 120.0° | 120.0° |
| H18 | C29 | H19 | H20 | 120.0° | 120.0° |
