VOU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C7 | O2 | sing | 1.43Å | 1.39Å | |
| C8 | O2 | sing | 1.36Å | 1.39Å | |
| C8 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| O1 | C1 | doub | 1.21Å | 1.18Å | |
| C6 | C1 | sing | 1.51Å | 1.52Å | |
| C13 | O3 | sing | 1.36Å | 1.40Å | |
| C1 | N1 | sing | 1.35Å | 1.44Å | |
| O3 | C14 | sing | 1.36Å | 1.40Å | |
| N1 | C2 | sing | 1.47Å | 1.44Å | |
| N1 | C5 | sing | 1.47Å | 1.46Å | |
| C15 | C14 | doub | 1.36Å | 1.36Å | Aromatic |
| C15 | C16 | sing | 1.41Å | 1.35Å | Aromatic |
| C2 | C3 | sing | 1.55Å | 1.51Å | |
| C14 | C18 | sing | 1.42Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.54Å | 1.53Å | |
| C16 | C17 | doub | 1.35Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.55Å | 1.52Å | |
| C18 | N2 | sing | 1.38Å | 1.31Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | N2 | sing | 1.38Å | 1.34Å | Aromatic |
| N2 | C22 | sing | 1.36Å | 1.28Å | Aromatic |
| C19 | C20 | sing | 1.41Å | 1.43Å | Aromatic |
| C22 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.43Å | 1.52Å | |
| C21 | N3 | trip | 1.14Å | 1.13Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.08Å | 1.08Å | |
| C12 | H17 | sing | 1.08Å | 1.08Å | |
| C10 | H18 | sing | 1.08Å | 1.08Å | |
| C9 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C10 | C11 | 120.0° | 120.1° |
| C10 | C9 | C8 | 119.9° | 120.0° |
| C9 | C10 | H18 | 120.0° | 119.9° |
| C10 | C9 | H19 | 120.0° | 120.0° |
| C10 | C11 | C12 | 120.0° | 120.2° |
| C10 | C11 | H16 | 120.0° | 119.9° |
| C11 | C10 | H18 | 120.0° | 119.9° |
| C9 | C8 | O2 | 120.1° | 120.1° |
| C9 | C8 | C13 | 120.1° | 119.9° |
| C8 | C9 | H19 | 120.1° | 120.0° |
| C11 | C12 | C13 | 119.8° | 120.0° |
| C12 | C11 | H16 | 120.0° | 119.9° |
| C11 | C12 | H17 | 120.1° | 120.0° |
| C6 | C7 | O2 | 110.1° | 109.5° |
| C7 | C6 | C1 | 109.3° | 109.5° |
| C7 | C6 | H12 | 109.5° | 109.5° |
| C7 | C6 | H13 | 109.5° | 109.5° |
| C6 | C7 | H14 | 109.3° | 109.5° |
| C6 | C7 | H15 | 109.4° | 109.5° |
| C7 | O2 | C8 | 112.8° | 117.0° |
| O2 | C7 | H14 | 109.3° | 109.4° |
| O2 | C7 | H15 | 109.3° | 109.5° |
| O2 | C8 | C13 | 119.8° | 120.0° |
| C8 | C13 | C12 | 120.2° | 119.8° |
| C8 | C13 | O3 | 119.5° | 120.1° |
| C12 | C13 | O3 | 120.3° | 120.1° |
| C13 | C12 | H17 | 120.1° | 120.0° |
| O1 | C1 | C6 | 120.6° | 120.0° |
| O1 | C1 | N1 | 119.7° | 120.0° |
| C6 | C1 | N1 | 119.8° | 120.0° |
| C1 | C6 | H12 | 109.5° | 109.4° |
| C1 | C6 | H13 | 109.5° | 109.5° |
| C13 | O3 | C14 | 111.9° | 118.0° |
| C1 | N1 | C2 | 125.3° | 125.6° |
| C1 | N1 | C5 | 125.6° | 125.7° |
| O3 | C14 | C15 | 121.4° | 120.4° |
| O3 | C14 | C18 | 118.7° | 120.4° |
| C2 | N1 | C5 | 109.2° | 108.7° |
| N1 | C2 | C3 | 108.0° | 104.8° |
| N1 | C2 | H1 | 109.8° | 110.4° |
| N1 | C2 | H2 | 109.8° | 110.5° |
| N1 | C5 | C4 | 105.6° | 107.3° |
| N1 | C5 | H8 | 110.4° | 109.9° |
| N1 | C5 | H9 | 110.4° | 109.9° |
| C14 | C15 | C16 | 119.3° | 119.7° |
| C15 | C14 | C18 | 119.9° | 119.2° |
| C14 | C15 | H3 | 120.3° | 120.1° |
| C15 | C16 | C17 | 119.8° | 120.6° |
| C16 | C15 | H3 | 120.3° | 120.2° |
| C15 | C16 | H4 | 120.1° | 119.6° |
| C2 | C3 | C4 | 105.2° | 101.6° |
| C3 | C2 | H1 | 109.8° | 110.4° |
| C3 | C2 | H2 | 109.8° | 110.3° |
| C2 | C3 | H6 | 110.5° | 111.0° |
| C2 | C3 | H7 | 110.5° | 111.0° |
| C14 | C18 | N2 | 119.8° | 119.8° |
| C14 | C18 | C19 | 134.4° | 131.9° |
| C5 | C4 | C3 | 103.1° | 103.0° |
| C4 | C5 | H8 | 110.4° | 109.9° |
| C4 | C5 | H9 | 110.4° | 109.8° |
| C5 | C4 | H10 | 111.1° | 110.7° |
| C5 | C4 | H11 | 111.1° | 110.7° |
| C16 | C17 | N2 | 119.8° | 120.9° |
| C17 | C16 | H4 | 120.1° | 119.8° |
| C16 | C17 | H5 | 120.1° | 119.6° |
| C4 | C3 | H6 | 110.5° | 111.0° |
| C4 | C3 | H7 | 110.5° | 111.1° |
| C3 | C4 | H10 | 111.0° | 110.7° |
| C3 | C4 | H11 | 111.0° | 110.7° |
| N2 | C18 | C19 | 105.7° | 108.3° |
| C18 | N2 | C17 | 121.4° | 119.9° |
| C18 | N2 | C22 | 116.7° | 108.8° |
| C18 | C19 | C20 | 105.8° | 107.0° |
| C18 | C19 | H20 | 127.1° | 126.6° |
| C17 | N2 | C22 | 122.0° | 131.3° |
| N2 | C17 | H5 | 120.1° | 119.6° |
| N2 | C22 | C20 | 105.5° | 108.6° |
| N2 | C22 | H21 | 127.2° | 125.7° |
| C19 | C20 | C22 | 106.3° | 107.3° |
| C19 | C20 | C21 | 126.7° | 126.4° |
| C20 | C19 | H20 | 127.1° | 126.5° |
| C22 | C20 | C21 | 127.0° | 126.4° |
| C20 | C22 | H21 | 127.3° | 125.7° |
| C20 | C21 | N3 | 179.5° | 180.0° |
| H1 | C2 | H2 | 109.5° | 110.3° |
| H6 | C3 | H7 | 109.5° | 110.9° |
| H8 | C5 | H9 | 109.5° | 110.0° |
| H10 | C4 | H11 | 109.5° | 110.7° |
| H12 | C6 | H13 | 109.4° | 109.5° |
| H14 | C7 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C10 | C11 | H18 | 180.0° | 179.5° |
| C10 | C9 | C8 | H19 | 180.0° | 179.4° |
| C9 | C10 | C11 | C12 | 0.1° | 0.1° |
| C10 | C9 | C8 | O2 | 179.9° | 179.7° |
| C10 | C9 | C8 | C13 | 0.2° | 0.8° |
| C9 | C10 | C11 | H16 | 179.9° | 179.7° |
| C11 | C10 | C9 | C8 | 0.1° | 0.5° |
| C10 | C11 | C12 | H16 | 180.0° | 179.7° |
| C10 | C11 | C12 | C13 | 0.3° | 0.4° |
| C10 | C11 | C12 | H17 | 179.7° | 179.7° |
| C11 | C10 | C9 | H19 | 179.9° | 180.0° |
| C9 | C8 | O2 | C7 | 34.3° | 0.6° |
| C9 | C8 | O2 | C13 | 179.7° | 179.5° |
| C9 | C8 | C13 | C12 | 0.6° | 0.5° |
| C9 | C8 | C13 | O3 | 179.6° | 179.4° |
| C8 | C9 | C10 | H18 | 179.9° | 180.0° |
| C11 | C12 | C13 | C8 | 0.6° | 0.1° |
| C11 | C12 | C13 | H17 | 180.0° | 179.9° |
| C11 | C12 | C13 | O3 | 179.6° | 180.0° |
| C12 | C11 | C10 | H18 | 179.9° | 179.4° |
| C6 | C7 | O2 | H14 | 120.1° | 120.0° |
| C6 | C7 | O2 | H15 | 120.1° | 120.0° |
| C6 | C7 | O2 | C8 | 174.6° | 180.0° |
| C7 | C6 | C1 | O1 | 93.7° | 0.0° |
| C7 | C6 | C1 | H12 | 120.0° | 120.0° |
| C7 | C6 | C1 | H13 | 120.0° | 120.0° |
| C7 | C6 | C1 | N1 | 86.2° | 180.0° |
| C7 | C6 | H12 | H13 | 120.0° | 120.1° |
| C6 | C7 | H14 | H15 | 119.8° | 120.0° |
| C7 | O2 | C8 | C13 | 146.0° | 180.0° |
| O2 | C7 | C6 | C1 | 97.3° | 180.0° |
| O2 | C7 | C6 | H12 | 22.7° | 60.0° |
| O2 | C7 | C6 | H13 | 142.7° | 60.0° |
| O2 | C7 | H14 | H15 | 119.7° | 120.0° |
| O2 | C8 | C13 | C12 | 179.7° | 180.0° |
| O2 | C8 | C13 | O3 | 0.7° | 0.0° |
| C8 | O2 | C7 | H14 | 54.6° | 60.0° |
| C8 | O2 | C7 | H15 | 65.3° | 60.0° |
| O2 | C8 | C9 | H19 | 0.0° | 0.3° |
| C8 | C13 | C12 | O3 | 178.9° | 179.9° |
| C8 | C13 | O3 | C14 | 98.2° | 174.4° |
| C8 | C13 | C12 | H17 | 179.4° | 180.0° |
| C13 | C8 | C9 | H19 | 179.7° | 179.8° |
| C12 | C13 | O3 | C14 | 82.8° | 5.6° |
| C13 | C12 | C11 | H16 | 179.8° | 180.0° |
| O1 | C1 | C6 | N1 | 179.9° | 180.0° |
| O1 | C1 | N1 | C2 | 0.2° | 0.0° |
| O1 | C1 | N1 | C5 | 180.0° | 180.0° |
| O1 | C1 | C6 | H12 | 146.3° | 120.0° |
| O1 | C1 | C6 | H13 | 26.3° | 120.0° |
| C6 | C1 | N1 | C2 | 179.9° | 180.0° |
| C6 | C1 | N1 | C5 | 0.1° | 0.0° |
| C1 | C6 | H12 | H13 | 120.1° | 119.9° |
| C1 | C6 | C7 | H14 | 22.8° | 60.0° |
| C1 | C6 | C7 | H15 | 142.6° | 60.0° |
| C13 | O3 | C14 | C15 | 24.9° | 113.2° |
| C13 | O3 | C14 | C18 | 155.8° | 66.9° |
| O3 | C13 | C12 | H17 | 0.4° | 0.0° |
| C1 | N1 | C2 | C5 | 179.9° | 180.0° |
| C1 | N1 | C2 | C3 | 176.4° | 155.9° |
| C1 | N1 | C5 | C4 | 159.1° | 178.9° |
| C1 | N1 | C2 | H1 | 63.8° | 37.0° |
| C1 | N1 | C2 | H2 | 56.7° | 85.3° |
| C1 | N1 | C5 | H8 | 39.7° | 61.6° |
| C1 | N1 | C5 | H9 | 81.5° | 59.5° |
| N1 | C1 | C6 | H12 | 33.7° | 60.0° |
| N1 | C1 | C6 | H13 | 153.8° | 60.0° |
| O3 | C14 | C15 | C18 | 179.4° | 179.9° |
| O3 | C14 | C15 | C16 | 179.7° | 180.0° |
| O3 | C14 | C18 | N2 | 179.6° | 180.0° |
| O3 | C14 | C18 | C19 | 0.5° | 0.1° |
| O3 | C14 | C15 | H3 | 0.4° | 0.2° |
| N1 | C2 | C3 | H1 | 119.8° | 118.9° |
| N1 | C2 | C3 | H2 | 119.8° | 118.9° |
| C2 | N1 | C5 | C4 | 21.0° | 1.1° |
| N1 | C2 | C3 | C4 | 15.3° | 37.0° |
| N1 | C2 | H1 | H2 | 120.7° | 122.3° |
| N1 | C2 | C3 | H6 | 104.0° | 81.1° |
| N1 | C2 | C3 | H7 | 134.6° | 155.1° |
| C2 | N1 | C5 | H8 | 140.4° | 118.4° |
| C2 | N1 | C5 | H9 | 98.4° | 120.4° |
| C5 | N1 | C2 | C3 | 3.7° | 24.1° |
| N1 | C5 | C4 | H8 | 119.4° | 119.4° |
| N1 | C5 | C4 | H9 | 119.4° | 119.4° |
| N1 | C5 | C4 | C3 | 29.6° | 22.2° |
| C5 | N1 | C2 | H1 | 116.1° | 143.0° |
| C5 | N1 | C2 | H2 | 123.4° | 94.7° |
| N1 | C5 | H8 | H9 | 121.8° | 121.1° |
| N1 | C5 | C4 | H10 | 89.4° | 140.6° |
| N1 | C5 | C4 | H11 | 148.5° | 96.2° |
| C14 | C15 | C16 | H3 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 0.2° | 0.0° |
| C15 | C14 | C18 | N2 | 0.2° | 0.0° |
| C15 | C14 | C18 | C19 | 179.9° | 180.0° |
| C14 | C15 | C16 | H4 | 179.8° | 180.0° |
| C16 | C15 | C14 | C18 | 0.3° | 0.0° |
| C15 | C16 | C17 | H4 | 180.0° | 180.0° |
| C15 | C16 | C17 | N2 | 0.0° | 0.0° |
| C15 | C16 | C17 | H5 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 27.0° | 35.5° |
| C2 | C3 | C4 | H6 | 119.3° | 118.1° |
| C2 | C3 | C4 | H7 | 119.4° | 118.1° |
| C3 | C2 | H1 | H2 | 120.7° | 122.2° |
| C2 | C3 | H6 | H7 | 122.0° | 123.9° |
| C2 | C3 | C4 | H10 | 91.9° | 153.9° |
| C2 | C3 | C4 | H11 | 146.0° | 82.9° |
| C14 | C18 | N2 | C19 | 179.9° | 180.0° |
| C14 | C18 | N2 | C17 | 0.1° | 0.0° |
| C14 | C18 | N2 | C22 | 180.0° | 180.0° |
| C14 | C18 | C19 | C20 | 179.8° | 179.9° |
| C18 | C14 | C15 | H3 | 179.7° | 179.7° |
| C14 | C18 | C19 | H20 | 0.2° | 0.1° |
| C5 | C4 | C3 | H10 | 119.0° | 118.4° |
| C5 | C4 | C3 | H11 | 119.0° | 118.4° |
| C5 | C4 | C3 | H6 | 92.3° | 82.6° |
| C5 | C4 | C3 | H7 | 146.4° | 153.6° |
| C4 | C5 | H8 | H9 | 121.8° | 121.1° |
| C5 | C4 | H10 | H11 | 123.0° | 123.2° |
| C16 | C17 | N2 | C18 | 0.0° | 0.0° |
| C16 | C17 | N2 | H5 | 180.0° | 180.0° |
| C16 | C17 | N2 | C22 | 179.9° | 180.0° |
| C17 | C16 | C15 | H3 | 179.8° | 179.7° |
| C4 | C3 | C2 | H1 | 135.1° | 155.9° |
| C4 | C3 | C2 | H2 | 104.5° | 81.9° |
| C4 | C3 | H6 | H7 | 122.0° | 123.9° |
| C3 | C4 | C5 | H8 | 148.9° | 141.6° |
| C3 | C4 | C5 | H9 | 89.8° | 97.2° |
| C3 | C4 | H10 | H11 | 122.9° | 123.2° |
| C18 | N2 | C17 | C22 | 179.9° | 180.0° |
| N2 | C18 | C19 | C20 | 0.1° | 0.0° |
| C18 | N2 | C22 | C20 | 0.3° | 0.0° |
| C18 | N2 | C17 | H5 | 180.0° | 180.0° |
| N2 | C18 | C19 | H20 | 179.9° | 179.9° |
| C18 | N2 | C22 | H21 | 179.7° | 180.0° |
| C19 | C18 | N2 | C17 | 180.0° | 180.0° |
| C19 | C18 | N2 | C22 | 0.1° | 0.0° |
| C18 | C19 | C20 | H20 | 180.0° | 179.9° |
| C18 | C19 | C20 | C22 | 0.3° | 0.0° |
| C18 | C19 | C20 | C21 | 180.0° | 180.0° |
| C17 | N2 | C22 | C20 | 179.8° | 179.9° |
| N2 | C17 | C16 | H4 | 179.9° | 180.0° |
| C17 | N2 | C22 | H21 | 0.1° | 0.0° |
| N2 | C22 | C20 | C19 | 0.3° | 0.0° |
| N2 | C22 | C20 | H21 | 180.0° | 180.0° |
| N2 | C22 | C20 | C21 | 180.0° | 180.0° |
| C22 | N2 | C17 | H5 | 0.1° | 0.0° |
| C19 | C20 | C22 | C21 | 179.7° | 180.0° |
| C19 | C20 | C21 | N3 | 175.8° | 111.8° |
| C19 | C20 | C22 | H21 | 179.7° | 180.0° |
| C22 | C20 | C21 | N3 | 3.9° | 68.2° |
| C22 | C20 | C19 | H20 | 179.8° | 179.9° |
| C21 | C20 | C19 | H20 | 0.1° | 0.1° |
| C21 | C20 | C22 | H21 | 0.0° | 0.0° |
| H1 | C2 | C3 | H6 | 15.7° | 37.8° |
| H1 | C2 | C3 | H7 | 105.6° | 86.0° |
| H2 | C2 | C3 | H6 | 136.2° | 160.0° |
| H2 | C2 | C3 | H7 | 14.9° | 36.2° |
| H3 | C15 | C16 | H4 | 0.2° | 0.3° |
| H4 | C16 | C17 | H5 | 0.1° | 0.0° |
| H6 | C3 | C4 | H10 | 148.8° | 35.8° |
| H6 | C3 | C4 | H11 | 26.7° | 159.0° |
| H7 | C3 | C4 | H10 | 27.4° | 88.0° |
| H7 | C3 | C4 | H11 | 94.6° | 35.2° |
| H8 | C5 | C4 | H10 | 30.0° | 100.0° |
| H8 | C5 | C4 | H11 | 92.1° | 23.2° |
| H9 | C5 | C4 | H10 | 151.2° | 21.2° |
| H9 | C5 | C4 | H11 | 29.1° | 144.4° |
| H12 | C6 | C7 | H14 | 142.8° | 59.9° |
| H12 | C6 | C7 | H15 | 97.4° | 180.0° |
| H13 | C6 | C7 | H14 | 97.2° | 180.0° |
| H13 | C6 | C7 | H15 | 22.6° | 60.0° |
| H16 | C11 | C12 | H17 | 0.2° | 0.0° |
| H16 | C11 | C10 | H18 | 0.1° | 0.2° |
| H18 | C10 | C9 | H19 | 0.1° | 0.6° |
