VP4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O28 | C27 | sing | 1.43Å | 1.42Å | |
| C27 | C24 | sing | 1.51Å | 1.51Å | |
| C24 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.37Å | 1.37Å | Aromatic |
| C25 | N26 | sing | 1.31Å | 1.32Å | Aromatic |
| C23 | C21 | doub | 1.41Å | 1.41Å | Aromatic |
| N26 | C20 | doub | 1.34Å | 1.35Å | Aromatic |
| C21 | C20 | sing | 1.42Å | 1.43Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.41Å | Aromatic |
| C20 | C19 | sing | 1.41Å | 1.42Å | Aromatic |
| C22 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.36Å | 1.37Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.42Å | Aromatic |
| C17 | N16 | sing | 1.40Å | 1.41Å | |
| N16 | C2 | sing | 1.46Å | 1.48Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | N5 | sing | 1.35Å | 1.36Å | |
| C3 | O4 | doub | 1.21Å | 1.22Å | |
| N5 | C6 | sing | 1.40Å | 1.41Å | |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | CL15 | sing | 1.74Å | 1.74Å | |
| C9 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C10 | N12 | sing | 1.40Å | 1.41Å | |
| C14 | N12 | sing | 1.47Å | 1.47Å | |
| N12 | C13 | sing | 1.47Å | 1.48Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| N5 | H14 | sing | 0.97Å | 1.00Å | |
| N16 | H15 | sing | 0.97Å | 1.00Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| O28 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O28 | C27 | C24 | 108.6° | 109.5° |
| O28 | C27 | H21 | 109.7° | 109.5° |
| O28 | C27 | H22 | 109.7° | 109.4° |
| C27 | O28 | H23 | 109.5° | 114.0° |
| C27 | C24 | C25 | 120.3° | 120.0° |
| C27 | C24 | C23 | 119.6° | 120.0° |
| C24 | C27 | H21 | 109.7° | 109.5° |
| C24 | C27 | H22 | 109.7° | 109.5° |
| C25 | C24 | C23 | 120.1° | 119.9° |
| C24 | C25 | N26 | 121.2° | 121.8° |
| C24 | C25 | H20 | 119.4° | 119.1° |
| C24 | C23 | C21 | 118.7° | 118.2° |
| C24 | C23 | H19 | 120.6° | 120.9° |
| C25 | N26 | C20 | 121.9° | 121.3° |
| N26 | C25 | H20 | 119.4° | 119.1° |
| C23 | C21 | C20 | 118.6° | 119.0° |
| C23 | C21 | C22 | 121.2° | 121.3° |
| C21 | C23 | H19 | 120.6° | 120.9° |
| N26 | C20 | C21 | 119.5° | 119.8° |
| N26 | C20 | C19 | 121.3° | 120.9° |
| C20 | C21 | C22 | 120.2° | 119.7° |
| C21 | C20 | C19 | 119.2° | 119.2° |
| C21 | C22 | C17 | 119.3° | 119.4° |
| C21 | C22 | H18 | 120.3° | 120.3° |
| C20 | C19 | C18 | 119.3° | 120.0° |
| C20 | C19 | H17 | 120.4° | 120.0° |
| C22 | C17 | C18 | 119.9° | 120.6° |
| C22 | C17 | N16 | 121.6° | 119.7° |
| C17 | C22 | H18 | 120.4° | 120.3° |
| C19 | C18 | C17 | 122.0° | 121.0° |
| C19 | C18 | H16 | 119.0° | 119.5° |
| C18 | C19 | H17 | 120.3° | 120.0° |
| C18 | C17 | N16 | 118.4° | 119.7° |
| C17 | C18 | H16 | 119.0° | 119.5° |
| C17 | N16 | C2 | 126.1° | 120.0° |
| C17 | N16 | H15 | 105.2° | 120.0° |
| N16 | C2 | C3 | 114.1° | 109.5° |
| N16 | C2 | C1 | 108.9° | 109.5° |
| N16 | C2 | H13 | 108.1° | 109.5° |
| C2 | N16 | H15 | 105.2° | 120.0° |
| C3 | C2 | C1 | 110.6° | 109.5° |
| C2 | C3 | N5 | 116.7° | 120.0° |
| C2 | C3 | O4 | 121.1° | 120.0° |
| C3 | C2 | H13 | 107.6° | 109.4° |
| C2 | C1 | H10 | 109.5° | 109.4° |
| C2 | C1 | H11 | 109.4° | 109.4° |
| C2 | C1 | H12 | 109.4° | 109.5° |
| C1 | C2 | H13 | 107.4° | 109.4° |
| C8 | C7 | C6 | 121.0° | 120.1° |
| C7 | C8 | C9 | 120.0° | 120.1° |
| C8 | C7 | H5 | 119.5° | 119.9° |
| C7 | C8 | H6 | 120.0° | 120.0° |
| C7 | C6 | N5 | 116.1° | 120.0° |
| C7 | C6 | C11 | 119.1° | 120.0° |
| C6 | C7 | H5 | 119.5° | 120.0° |
| N5 | C3 | O4 | 122.2° | 120.0° |
| C3 | N5 | C6 | 129.8° | 120.0° |
| C3 | N5 | H14 | 115.1° | 120.0° |
| N5 | C6 | C11 | 124.7° | 120.0° |
| C6 | N5 | H14 | 115.1° | 120.0° |
| C8 | C9 | CL15 | 117.6° | 120.0° |
| C8 | C9 | C10 | 120.5° | 120.0° |
| C9 | C8 | H6 | 120.0° | 119.9° |
| C6 | C11 | C10 | 120.4° | 119.8° |
| C6 | C11 | H4 | 119.8° | 120.1° |
| CL15 | C9 | C10 | 121.9° | 120.0° |
| C9 | C10 | C11 | 118.8° | 119.9° |
| C9 | C10 | N12 | 119.2° | 120.1° |
| C11 | C10 | N12 | 122.0° | 120.0° |
| C10 | C11 | H4 | 119.8° | 120.1° |
| C10 | N12 | C14 | 115.0° | 111.0° |
| C10 | N12 | C13 | 114.1° | 111.0° |
| C14 | N12 | C13 | 112.4° | 111.0° |
| N12 | C14 | H1 | 109.5° | 109.5° |
| N12 | C14 | H2 | 109.5° | 109.5° |
| N12 | C14 | H3 | 109.4° | 109.5° |
| N12 | C13 | H7 | 109.5° | 109.5° |
| N12 | C13 | H8 | 109.5° | 109.4° |
| N12 | C13 | H9 | 109.4° | 109.5° |
| H1 | C14 | H2 | 109.5° | 109.4° |
| H1 | C14 | H3 | 109.5° | 109.5° |
| H2 | C14 | H3 | 109.5° | 109.4° |
| H7 | C13 | H8 | 109.4° | 109.5° |
| H7 | C13 | H9 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.5° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H10 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H21 | C27 | H22 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O28 | C27 | C24 | H21 | 119.8° | 120.1° |
| O28 | C27 | C24 | H22 | 119.9° | 120.0° |
| O28 | C27 | C24 | C25 | 123.2° | 89.9° |
| O28 | C27 | C24 | C23 | 56.8° | 90.0° |
| O28 | C27 | H21 | H22 | 120.4° | 119.9° |
| C27 | C24 | C25 | C23 | 180.0° | 179.9° |
| C27 | C24 | C25 | N26 | 179.7° | 180.0° |
| C27 | C24 | C23 | C21 | 179.6° | 180.0° |
| C27 | C24 | C23 | H19 | 0.4° | 0.0° |
| C27 | C24 | C25 | H20 | 0.3° | 0.1° |
| C24 | C27 | H21 | H22 | 120.4° | 120.0° |
| C24 | C27 | O28 | H23 | 180.0° | 180.0° |
| C24 | C25 | N26 | H20 | 180.0° | 179.9° |
| C25 | C24 | C23 | C21 | 0.4° | 0.0° |
| C24 | C25 | N26 | C20 | 1.4° | 0.1° |
| C25 | C24 | C23 | H19 | 179.6° | 179.9° |
| C25 | C24 | C27 | H21 | 3.3° | 150.0° |
| C25 | C24 | C27 | H22 | 117.0° | 30.0° |
| C23 | C24 | C25 | N26 | 0.3° | 0.1° |
| C24 | C23 | C21 | H19 | 180.0° | 179.9° |
| C24 | C23 | C21 | C20 | 0.1° | 0.0° |
| C24 | C23 | C21 | C22 | 179.9° | 179.7° |
| C23 | C24 | C25 | H20 | 179.7° | 180.0° |
| C23 | C24 | C27 | H21 | 176.7° | 30.1° |
| C23 | C24 | C27 | H22 | 63.0° | 150.0° |
| C25 | N26 | C20 | C21 | 1.7° | 0.0° |
| C25 | N26 | C20 | C19 | 178.9° | 180.0° |
| C23 | C21 | C20 | N26 | 0.9° | 0.0° |
| C23 | C21 | C20 | C22 | 179.8° | 179.8° |
| C23 | C21 | C20 | C19 | 179.7° | 180.0° |
| C23 | C21 | C22 | C17 | 177.6° | 179.7° |
| C23 | C21 | C22 | H18 | 2.4° | 0.2° |
| N26 | C20 | C21 | C19 | 179.4° | 180.0° |
| N26 | C20 | C21 | C22 | 178.9° | 179.8° |
| N26 | C20 | C19 | C18 | 179.5° | 180.0° |
| N26 | C20 | C19 | H17 | 0.5° | 0.0° |
| C20 | N26 | C25 | H20 | 178.6° | 180.0° |
| C20 | C21 | C22 | C17 | 2.6° | 0.5° |
| C21 | C20 | C19 | C18 | 1.2° | 0.0° |
| C21 | C20 | C19 | H17 | 178.8° | 180.0° |
| C20 | C21 | C22 | H18 | 177.4° | 180.0° |
| C20 | C21 | C23 | H19 | 179.9° | 179.9° |
| C22 | C21 | C20 | C19 | 0.5° | 0.3° |
| C21 | C22 | C17 | H18 | 180.0° | 179.5° |
| C21 | C22 | C17 | C18 | 3.1° | 0.5° |
| C21 | C22 | C17 | N16 | 178.7° | 179.8° |
| C22 | C21 | C23 | H19 | 0.1° | 0.2° |
| C20 | C19 | C18 | H17 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.8° | 0.0° |
| C20 | C19 | C18 | H16 | 179.3° | 180.0° |
| C22 | C17 | C18 | C19 | 1.4° | 0.3° |
| C22 | C17 | C18 | N16 | 178.3° | 179.7° |
| C22 | C17 | N16 | C2 | 31.3° | 179.7° |
| C22 | C17 | N16 | H15 | 91.0° | 0.3° |
| C22 | C17 | C18 | H16 | 178.6° | 179.8° |
| C19 | C18 | C17 | H16 | 180.0° | 179.9° |
| C19 | C18 | C17 | N16 | 179.7° | 180.0° |
| C18 | C17 | N16 | C2 | 150.5° | 0.1° |
| C18 | C17 | N16 | H15 | 87.3° | 180.0° |
| C17 | C18 | C19 | H17 | 179.3° | 179.9° |
| C18 | C17 | C22 | H18 | 176.9° | 180.0° |
| C17 | N16 | C2 | H15 | 122.3° | 179.9° |
| C17 | N16 | C2 | C3 | 54.9° | 155.0° |
| C17 | N16 | C2 | C1 | 178.9° | 85.0° |
| C17 | N16 | C2 | H13 | 64.7° | 35.0° |
| N16 | C17 | C18 | H16 | 0.3° | 0.1° |
| N16 | C17 | C22 | H18 | 1.3° | 0.3° |
| N16 | C2 | C3 | C1 | 123.1° | 120.0° |
| N16 | C2 | C3 | H13 | 119.9° | 120.0° |
| N16 | C2 | C1 | H13 | 116.8° | 120.0° |
| N16 | C2 | C3 | N5 | 157.2° | 180.0° |
| N16 | C2 | C3 | O4 | 23.4° | 0.0° |
| N16 | C2 | C1 | H10 | 180.0° | 60.0° |
| N16 | C2 | C1 | H11 | 60.0° | 60.0° |
| N16 | C2 | C1 | H12 | 60.0° | 180.0° |
| C3 | C2 | C1 | H13 | 117.1° | 119.9° |
| C2 | C3 | N5 | O4 | 179.4° | 180.0° |
| C2 | C3 | N5 | C6 | 179.1° | 175.4° |
| C3 | C2 | C1 | H10 | 53.9° | 180.0° |
| C3 | C2 | C1 | H11 | 173.9° | 60.1° |
| C3 | C2 | C1 | H12 | 66.1° | 60.0° |
| C2 | C3 | N5 | H14 | 1.0° | 4.6° |
| C3 | C2 | N16 | H15 | 177.1° | 25.1° |
| C1 | C2 | C3 | N5 | 79.7° | 60.0° |
| C1 | C2 | C3 | O4 | 99.8° | 120.0° |
| C2 | C1 | H10 | H11 | 120.0° | 119.9° |
| C2 | C1 | H10 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H12 | 119.9° | 120.0° |
| C1 | C2 | N16 | H15 | 58.8° | 95.0° |
| C8 | C7 | C6 | H5 | 180.0° | 179.9° |
| C8 | C7 | C6 | N5 | 179.1° | 179.7° |
| C7 | C8 | C9 | H6 | 180.0° | 179.9° |
| C8 | C7 | C6 | C11 | 2.5° | 0.1° |
| C7 | C8 | C9 | CL15 | 179.7° | 180.0° |
| C7 | C8 | C9 | C10 | 0.4° | 0.1° |
| C7 | C6 | N5 | C3 | 166.1° | 35.3° |
| C7 | C6 | N5 | C11 | 176.4° | 179.8° |
| C6 | C7 | C8 | C9 | 1.5° | 0.1° |
| C7 | C6 | C11 | C10 | 2.5° | 0.1° |
| C7 | C6 | C11 | H4 | 177.5° | 180.0° |
| C6 | C7 | C8 | H6 | 178.5° | 180.0° |
| C7 | C6 | N5 | H14 | 13.9° | 144.7° |
| C3 | N5 | C6 | H14 | 180.0° | 180.0° |
| C3 | N5 | C6 | C11 | 17.5° | 144.9° |
| N5 | C3 | C2 | H13 | 37.3° | 60.0° |
| O4 | C3 | N5 | C6 | 0.3° | 4.6° |
| O4 | C3 | C2 | H13 | 143.3° | 120.1° |
| O4 | C3 | N5 | H14 | 179.6° | 175.4° |
| N5 | C6 | C11 | C10 | 178.7° | 179.7° |
| N5 | C6 | C11 | H4 | 1.3° | 0.2° |
| N5 | C6 | C7 | H5 | 0.9° | 0.2° |
| C8 | C9 | CL15 | C10 | 179.9° | 180.0° |
| C8 | C9 | C10 | C11 | 0.4° | 0.1° |
| C8 | C9 | C10 | N12 | 179.3° | 180.0° |
| C9 | C8 | C7 | H5 | 178.5° | 179.9° |
| C6 | C11 | C10 | C9 | 1.4° | 0.1° |
| C6 | C11 | C10 | H4 | 180.0° | 179.9° |
| C6 | C11 | C10 | N12 | 179.7° | 180.0° |
| C11 | C6 | C7 | H5 | 177.5° | 180.0° |
| C11 | C6 | N5 | H14 | 162.5° | 35.1° |
| CL15 | C9 | C10 | C11 | 179.7° | 180.0° |
| CL15 | C9 | C10 | N12 | 0.8° | 0.1° |
| CL15 | C9 | C8 | H6 | 0.3° | 0.1° |
| C9 | C10 | C11 | N12 | 178.9° | 179.9° |
| C9 | C10 | N12 | C14 | 125.5° | 120.0° |
| C9 | C10 | N12 | C13 | 102.5° | 116.0° |
| C9 | C10 | C11 | H4 | 178.6° | 180.0° |
| C10 | C9 | C8 | H6 | 179.6° | 180.0° |
| C11 | C10 | N12 | C14 | 55.6° | 60.1° |
| C11 | C10 | N12 | C13 | 76.3° | 63.9° |
| C10 | N12 | C14 | C13 | 132.8° | 124.0° |
| C10 | N12 | C14 | H1 | 180.0° | 60.0° |
| C10 | N12 | C14 | H2 | 60.0° | 180.0° |
| C10 | N12 | C14 | H3 | 60.0° | 60.1° |
| N12 | C10 | C11 | H4 | 0.3° | 0.1° |
| C10 | N12 | C13 | H7 | 180.0° | 176.0° |
| C10 | N12 | C13 | H8 | 60.0° | 56.0° |
| C10 | N12 | C13 | H9 | 60.0° | 63.9° |
| N12 | C14 | H1 | H2 | 120.0° | 120.0° |
| N12 | C14 | H1 | H3 | 120.0° | 120.1° |
| N12 | C14 | H2 | H3 | 120.0° | 120.0° |
| C14 | N12 | C13 | H7 | 46.8° | 60.1° |
| C14 | N12 | C13 | H8 | 166.8° | 180.0° |
| C14 | N12 | C13 | H9 | 73.2° | 60.0° |
| C13 | N12 | C14 | H1 | 47.2° | 176.0° |
| C13 | N12 | C14 | H2 | 72.8° | 56.1° |
| C13 | N12 | C14 | H3 | 167.2° | 63.9° |
| N12 | C13 | H7 | H8 | 120.0° | 119.9° |
| N12 | C13 | H7 | H9 | 120.0° | 120.0° |
| N12 | C13 | H8 | H9 | 120.0° | 120.0° |
| H1 | C14 | H2 | H3 | 120.0° | 120.0° |
| H5 | C7 | C8 | H6 | 1.5° | 0.2° |
| H7 | C13 | H8 | H9 | 120.0° | 120.1° |
| H10 | C1 | H11 | H12 | 120.0° | 120.1° |
| H10 | C1 | C2 | H13 | 63.2° | 60.1° |
| H11 | C1 | C2 | H13 | 56.9° | NaN° |
| H12 | C1 | C2 | H13 | 176.8° | 59.9° |
| H13 | C2 | N16 | H15 | 57.6° | 145.1° |
| H16 | C18 | C19 | H17 | 0.7° | 0.0° |
| H21 | C27 | O28 | H23 | 60.2° | 59.9° |
| H22 | C27 | O28 | H23 | 60.1° | 60.0° |
