OVX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C13 | doub | 1.31Å | 1.33Å | Aromatic |
| N2 | C12 | sing | 1.32Å | 1.34Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.42Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.42Å | Aromatic |
| C14 | C19 | sing | 1.42Å | 1.42Å | Aromatic |
| C15 | C16 | sing | 1.36Å | 1.36Å | Aromatic |
| C11 | C19 | sing | 1.46Å | 1.42Å | Aromatic |
| C11 | C10 | sing | 1.47Å | 1.50Å | |
| C19 | C18 | doub | 1.40Å | 1.42Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | O1 | doub | 1.22Å | 1.22Å | |
| C10 | N1 | sing | 1.35Å | 1.35Å | |
| CL | C | sing | 1.74Å | 1.74Å | |
| C18 | C17 | sing | 1.36Å | 1.37Å | Aromatic |
| O | C9 | doub | 1.21Å | 1.23Å | |
| N1 | C8 | sing | 1.47Å | 1.46Å | |
| N1 | C7 | sing | 1.47Å | 1.47Å | |
| C8 | C9 | sing | 1.50Å | 1.50Å | |
| C9 | N | sing | 1.33Å | 1.37Å | |
| C5 | C | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| N | C6 | sing | 1.46Å | 1.48Å | |
| N | C4 | sing | 1.40Å | 1.42Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C3 | H14 | sing | 1.08Å | 1.08Å | |
| C2 | H15 | sing | 1.08Å | 1.08Å | |
| C1 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | N2 | C12 | 117.5° | 123.7° |
| N2 | C13 | C14 | 124.3° | 120.9° |
| N2 | C13 | H8 | 117.9° | 119.5° |
| N2 | C12 | C11 | 124.4° | 121.3° |
| N2 | C12 | H13 | 117.8° | 119.3° |
| C13 | C14 | C15 | 123.3° | 122.1° |
| C13 | C14 | C19 | 117.7° | 118.7° |
| C14 | C13 | H8 | 117.8° | 119.6° |
| C12 | C11 | C19 | 118.4° | 117.7° |
| C12 | C11 | C10 | 120.3° | 121.2° |
| C11 | C12 | H13 | 117.8° | 119.3° |
| C15 | C14 | C19 | 119.0° | 119.2° |
| C14 | C15 | C16 | 120.6° | 119.5° |
| C14 | C15 | H9 | 119.7° | 120.3° |
| C14 | C19 | C11 | 117.7° | 117.7° |
| C14 | C19 | C18 | 118.0° | 119.8° |
| C15 | C16 | C17 | 120.7° | 121.1° |
| C16 | C15 | H9 | 119.7° | 120.2° |
| C15 | C16 | H12 | 119.6° | 119.5° |
| C19 | C11 | C10 | 121.2° | 121.2° |
| C11 | C19 | C18 | 124.3° | 122.4° |
| C11 | C10 | O1 | 120.2° | 120.0° |
| C11 | C10 | N1 | 117.5° | 120.0° |
| C19 | C18 | C17 | 121.1° | 119.4° |
| C19 | C18 | H11 | 119.4° | 120.3° |
| C16 | C17 | C18 | 120.6° | 120.9° |
| C16 | C17 | H10 | 119.7° | 119.6° |
| C17 | C16 | H12 | 119.7° | 119.4° |
| O1 | C10 | N1 | 122.3° | 120.0° |
| C10 | N1 | C8 | 122.9° | 121.4° |
| C10 | N1 | C7 | 124.3° | 121.3° |
| CL | C | C5 | 118.6° | 120.0° |
| CL | C | C1 | 119.4° | 120.0° |
| C18 | C17 | H10 | 119.7° | 119.5° |
| C17 | C18 | H11 | 119.5° | 120.3° |
| O | C9 | C8 | 119.6° | 118.5° |
| O | C9 | N | 123.5° | 118.5° |
| C8 | N1 | C7 | 112.7° | 117.3° |
| N1 | C8 | C9 | 114.1° | 108.9° |
| N1 | C8 | H6 | 108.3° | 109.5° |
| N1 | C8 | H7 | 108.3° | 109.5° |
| N1 | C7 | C6 | 110.0° | 108.2° |
| N1 | C7 | H4 | 109.3° | 109.7° |
| N1 | C7 | H5 | 109.4° | 109.7° |
| C8 | C9 | N | 116.8° | 123.0° |
| C9 | C8 | H6 | 108.3° | 109.6° |
| C9 | C8 | H7 | 108.3° | 109.6° |
| C9 | N | C6 | 123.4° | 124.6° |
| C9 | N | C4 | 121.3° | 117.7° |
| C | C5 | C4 | 118.9° | 119.9° |
| C5 | C | C1 | 121.8° | 120.1° |
| C | C5 | H1 | 120.6° | 120.1° |
| C5 | C4 | N | 118.3° | 120.0° |
| C5 | C4 | C3 | 120.3° | 119.9° |
| C4 | C5 | H1 | 120.5° | 120.0° |
| C | C1 | C2 | 118.9° | 120.1° |
| C | C1 | H16 | 120.5° | 119.9° |
| C6 | N | C4 | 114.9° | 117.7° |
| N | C6 | C7 | 112.4° | 110.7° |
| N | C6 | H2 | 108.7° | 109.2° |
| N | C6 | H3 | 108.7° | 109.1° |
| N | C4 | C3 | 121.2° | 120.1° |
| C7 | C6 | H2 | 108.7° | 109.2° |
| C7 | C6 | H3 | 108.7° | 109.2° |
| C6 | C7 | H4 | 109.3° | 109.7° |
| C6 | C7 | H5 | 109.3° | 109.7° |
| C4 | C3 | C2 | 119.6° | 120.0° |
| C4 | C3 | H14 | 120.2° | 120.0° |
| C1 | C2 | C3 | 120.4° | 120.1° |
| C1 | C2 | H15 | 119.8° | 120.0° |
| C2 | C1 | H16 | 120.5° | 119.9° |
| C2 | C3 | H14 | 120.2° | 120.0° |
| C3 | C2 | H15 | 119.8° | 120.0° |
| H2 | C6 | H3 | 109.5° | 109.3° |
| H4 | C7 | H5 | 109.5° | 109.8° |
| H6 | C8 | H7 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C13 | C14 | H8 | 180.0° | 179.8° |
| C13 | N2 | C12 | C11 | 1.2° | 0.2° |
| N2 | C13 | C14 | C15 | 178.5° | 179.8° |
| N2 | C13 | C14 | C19 | 1.0° | 0.1° |
| C13 | N2 | C12 | H13 | 178.7° | 180.0° |
| C12 | N2 | C13 | C14 | 0.5° | 0.2° |
| N2 | C12 | C11 | H13 | 180.0° | 179.8° |
| N2 | C12 | C11 | C19 | 0.5° | 0.1° |
| N2 | C12 | C11 | C10 | 177.9° | 179.7° |
| C12 | N2 | C13 | H8 | 179.5° | 179.6° |
| C13 | C14 | C15 | C19 | 179.5° | 179.9° |
| C13 | C14 | C15 | C16 | 179.8° | 180.0° |
| C13 | C14 | C19 | C11 | 1.6° | 0.4° |
| C13 | C14 | C19 | C18 | 178.7° | 179.5° |
| C13 | C14 | C15 | H9 | 0.2° | 0.1° |
| C12 | C11 | C19 | C14 | 0.9° | 0.4° |
| C12 | C11 | C19 | C10 | 177.4° | 179.6° |
| C12 | C11 | C19 | C18 | 179.4° | 179.6° |
| C12 | C11 | C10 | O1 | 82.1° | 135.9° |
| C12 | C11 | C10 | N1 | 99.6° | 44.1° |
| C14 | C15 | C16 | H9 | 180.0° | 180.0° |
| C15 | C14 | C19 | C11 | 177.9° | 179.5° |
| C15 | C14 | C19 | C18 | 1.8° | 0.6° |
| C14 | C15 | C16 | C17 | 1.2° | 0.9° |
| C15 | C14 | C13 | H8 | 1.5° | 0.0° |
| C14 | C15 | C16 | H12 | 178.8° | 180.0° |
| C19 | C14 | C15 | C16 | 0.4° | 0.1° |
| C14 | C19 | C11 | C18 | 179.7° | 179.9° |
| C14 | C19 | C11 | C10 | 176.4° | 180.0° |
| C14 | C19 | C18 | C17 | 1.9° | 0.1° |
| C19 | C14 | C13 | H8 | 179.1° | 179.9° |
| C19 | C14 | C15 | H9 | 179.6° | 180.0° |
| C14 | C19 | C18 | H11 | 178.2° | 180.0° |
| C15 | C16 | C17 | H12 | 180.0° | 179.0° |
| C15 | C16 | C17 | C18 | 1.2° | 1.5° |
| C15 | C16 | C17 | H10 | 178.8° | 179.5° |
| C19 | C11 | C10 | O1 | 95.2° | 43.7° |
| C19 | C11 | C10 | N1 | 83.1° | 136.3° |
| C11 | C19 | C18 | C17 | 177.8° | 180.0° |
| C11 | C19 | C18 | H11 | 2.1° | 0.1° |
| C19 | C11 | C12 | H13 | 179.5° | 179.7° |
| C10 | C11 | C19 | C18 | 3.3° | 0.0° |
| C11 | C10 | O1 | N1 | 178.2° | 179.9° |
| C11 | C10 | N1 | C8 | 7.7° | 5.1° |
| C11 | C10 | N1 | C7 | 170.5° | 175.1° |
| C10 | C11 | C12 | H13 | 2.1° | 0.1° |
| C19 | C18 | C17 | C16 | 0.4° | 1.0° |
| C19 | C18 | C17 | H11 | 180.0° | 180.0° |
| C19 | C18 | C17 | H10 | 179.6° | 179.9° |
| C16 | C17 | C18 | H10 | 180.0° | 179.0° |
| C17 | C16 | C15 | H9 | 178.8° | 179.0° |
| C16 | C17 | C18 | H11 | 179.6° | 179.0° |
| O1 | C10 | N1 | C8 | 170.6° | 174.8° |
| O1 | C10 | N1 | C7 | 11.2° | 4.9° |
| C10 | N1 | C8 | C7 | 178.4° | 179.8° |
| C10 | N1 | C8 | C9 | 127.6° | 137.0° |
| C10 | N1 | C7 | C6 | 119.4° | 118.3° |
| C10 | N1 | C7 | H4 | 120.6° | 122.1° |
| C10 | N1 | C7 | H5 | 0.7° | 1.4° |
| C10 | N1 | C8 | H6 | 6.9° | 17.2° |
| C10 | N1 | C8 | H7 | 111.7° | 103.2° |
| CL | C | C5 | C1 | 175.4° | 180.0° |
| CL | C | C5 | C4 | 173.3° | 180.0° |
| CL | C | C1 | C2 | 174.8° | 180.0° |
| CL | C | C5 | H1 | 6.7° | 0.0° |
| CL | C | C1 | H16 | 5.1° | 0.0° |
| C18 | C17 | C16 | H12 | 178.8° | 179.5° |
| O | C9 | C8 | N1 | 147.8° | 167.3° |
| O | C9 | C8 | N | 177.6° | 179.9° |
| O | C9 | N | C6 | 157.8° | 175.8° |
| O | C9 | N | C4 | 15.6° | 4.3° |
| O | C9 | C8 | H6 | 27.2° | 47.6° |
| O | C9 | C8 | H7 | 91.5° | 72.9° |
| N1 | C8 | C9 | H6 | 120.7° | 119.8° |
| N1 | C8 | C9 | H7 | 120.7° | 119.8° |
| N1 | C8 | C9 | N | 29.8° | 12.7° |
| C8 | N1 | C7 | C6 | 59.0° | 61.5° |
| C8 | N1 | C7 | H4 | 61.1° | 58.2° |
| C8 | N1 | C7 | H5 | 179.1° | 178.8° |
| N1 | C8 | H6 | H7 | 117.9° | 120.3° |
| C7 | N1 | C8 | C9 | 50.8° | 42.8° |
| N1 | C7 | C6 | N | 45.9° | 46.7° |
| N1 | C7 | C6 | H4 | 120.1° | 119.7° |
| N1 | C7 | C6 | H5 | 120.1° | 119.7° |
| N1 | C7 | C6 | H2 | 74.5° | 167.0° |
| N1 | C7 | C6 | H3 | 166.4° | 73.5° |
| N1 | C7 | H4 | H5 | 119.8° | 120.7° |
| C7 | N1 | C8 | H6 | 171.4° | 162.6° |
| C7 | N1 | C8 | H7 | 69.9° | 77.1° |
| C8 | C9 | N | C6 | 19.7° | 4.3° |
| C8 | C9 | N | C4 | 166.8° | 175.6° |
| C9 | C8 | H6 | H7 | 117.9° | 120.4° |
| C9 | N | C4 | C5 | 113.0° | 113.2° |
| C9 | N | C6 | C4 | 173.8° | 180.0° |
| C9 | N | C6 | C7 | 28.3° | 21.9° |
| C9 | N | C4 | C3 | 61.8° | 67.0° |
| C9 | N | C6 | H2 | 92.2° | 142.2° |
| C9 | N | C6 | H3 | 148.7° | 98.4° |
| N | C9 | C8 | H6 | 150.5° | 132.5° |
| N | C9 | C8 | H7 | 90.9° | 107.1° |
| C | C5 | C4 | H1 | 180.0° | 179.9° |
| C | C5 | C4 | N | 172.0° | 179.7° |
| C | C5 | C4 | C3 | 2.8° | 0.1° |
| C5 | C | C1 | C2 | 0.5° | 0.0° |
| C5 | C | C1 | H16 | 179.5° | 180.0° |
| C4 | C5 | C | C1 | 2.1° | 0.0° |
| C5 | C4 | N | C6 | 61.0° | 66.9° |
| C5 | C4 | N | C3 | 174.8° | 179.8° |
| C5 | C4 | C3 | C2 | 1.9° | 0.1° |
| C5 | C4 | C3 | H14 | 178.1° | 179.9° |
| C | C1 | C2 | H16 | 180.0° | 180.0° |
| C | C1 | C2 | C3 | 0.4° | 0.0° |
| C1 | C | C5 | H1 | 177.9° | 179.9° |
| C | C1 | C2 | H15 | 179.6° | 180.0° |
| N | C6 | C7 | H2 | 120.4° | 120.3° |
| N | C6 | C7 | H3 | 120.5° | 120.2° |
| C6 | N | C4 | C3 | 124.3° | 113.0° |
| N | C6 | H2 | H3 | 118.7° | 119.3° |
| N | C6 | C7 | H4 | 74.1° | 73.0° |
| N | C6 | C7 | H5 | 166.0° | 166.4° |
| C4 | N | C6 | C7 | 157.9° | 158.1° |
| N | C4 | C3 | C2 | 172.8° | 179.7° |
| N | C4 | C5 | H1 | 8.0° | 0.2° |
| C4 | N | C6 | H2 | 81.6° | 37.7° |
| C4 | N | C6 | H3 | 37.5° | 81.7° |
| N | C4 | C3 | H14 | 7.3° | 0.2° |
| C7 | C6 | H2 | H3 | 118.6° | 119.4° |
| C6 | C7 | H4 | H5 | 119.7° | 120.6° |
| C4 | C3 | C2 | C1 | 0.3° | 0.1° |
| C4 | C3 | C2 | H14 | 180.0° | 180.0° |
| C3 | C4 | C5 | H1 | 177.2° | 180.0° |
| C4 | C3 | C2 | H15 | 179.7° | 180.0° |
| C1 | C2 | C3 | H15 | 180.0° | 179.9° |
| C1 | C2 | C3 | H14 | 179.7° | 180.0° |
| C3 | C2 | C1 | H16 | 179.6° | 180.0° |
| H2 | C6 | C7 | H4 | 165.4° | 47.4° |
| H2 | C6 | C7 | H5 | 45.6° | 73.3° |
| H3 | C6 | C7 | H4 | 46.3° | 166.8° |
| H3 | C6 | C7 | H5 | 73.5° | 46.2° |
| H9 | C15 | C16 | H12 | 1.2° | 0.0° |
| H10 | C17 | C18 | H11 | 0.4° | 0.0° |
| H10 | C17 | C16 | H12 | 1.2° | 0.5° |
| H14 | C3 | C2 | H15 | 0.3° | 0.0° |
| H15 | C2 | C1 | H16 | 0.4° | 0.0° |
