ONV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.23Å | |
| N | C | sing | 1.34Å | 1.32Å | |
| N | C2 | sing | 1.47Å | 1.46Å | |
| C | O1 | sing | 1.34Å | 1.45Å | |
| C2 | C1 | sing | 1.54Å | 1.52Å | |
| O1 | C1 | sing | 1.46Å | 1.42Å | |
| C1 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | O2 | sing | 1.43Å | 1.40Å | |
| O2 | C4 | sing | 1.36Å | 1.36Å | |
| C6 | C4 | doub | 1.38Å | 1.33Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | N11 | sing | 1.38Å | 1.37Å | Aromatic |
| C7 | C8 | doub | 1.41Å | 1.39Å | Aromatic |
| N11 | C10 | sing | 1.38Å | 1.35Å | Aromatic |
| C5 | CL | sing | 1.74Å | 1.79Å | |
| C5 | C9 | doub | 1.36Å | 1.34Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C11 | sing | 1.41Å | 1.35Å | Aromatic |
| O3 | C12 | doub | 1.22Å | 1.22Å | |
| C10 | C12 | sing | 1.47Å | 1.45Å | |
| C10 | C11 | doub | 1.36Å | 1.37Å | Aromatic |
| C12 | N2 | sing | 1.35Å | 1.30Å | |
| N2 | C13 | sing | 1.46Å | 1.46Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C13 | C21 | sing | 1.53Å | 1.52Å | |
| O6 | C21 | sing | 1.43Å | 1.43Å | |
| C19 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | C17 | doub | 1.40Å | 1.43Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | C20 | sing | 1.48Å | 1.55Å | |
| O5 | C20 | doub | 1.21Å | 1.27Å | |
| C20 | O4 | sing | 1.35Å | 1.34Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| O4 | H12 | sing | 0.97Å | 0.95Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| O6 | H17 | sing | 0.97Å | 0.95Å | |
| N2 | H18 | sing | 0.97Å | 1.00Å | |
| N11 | H19 | sing | 0.97Å | 1.00Å | |
| N | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | N | 128.1° | 123.1° |
| O | C | O1 | 122.5° | 123.1° |
| C | N | C2 | 113.6° | 108.9° |
| N | C | O1 | 109.3° | 113.9° |
| C | N | H20 | 123.2° | 125.5° |
| N | C2 | C1 | 98.2° | 103.8° |
| N | C2 | H2 | 112.2° | 110.5° |
| N | C2 | H3 | 112.2° | 110.7° |
| C2 | N | H20 | 123.2° | 125.6° |
| C | O1 | C1 | 104.6° | 109.4° |
| C2 | C1 | O1 | 109.9° | 104.1° |
| C2 | C1 | C3 | 108.9° | 110.5° |
| C2 | C1 | H1 | 111.6° | 110.5° |
| C1 | C2 | H2 | 112.2° | 110.5° |
| C1 | C2 | H3 | 112.2° | 110.6° |
| O1 | C1 | C3 | 100.9° | 110.5° |
| O1 | C1 | H1 | 113.3° | 110.5° |
| C1 | C3 | O2 | 105.8° | 109.5° |
| C3 | C1 | H1 | 111.7° | 110.5° |
| C1 | C3 | H4 | 110.4° | 109.4° |
| C1 | C3 | H5 | 110.4° | 109.5° |
| C3 | O2 | C4 | 127.7° | 117.0° |
| O2 | C3 | H4 | 110.4° | 109.5° |
| O2 | C3 | H5 | 110.4° | 109.5° |
| O2 | C4 | C6 | 110.6° | 119.7° |
| O2 | C4 | C5 | 126.4° | 119.8° |
| C4 | C6 | C7 | 118.3° | 119.8° |
| C6 | C4 | C5 | 122.8° | 120.5° |
| C4 | C6 | H6 | 120.9° | 120.1° |
| C6 | C7 | N11 | 129.5° | 133.1° |
| C6 | C7 | C8 | 119.9° | 119.5° |
| C7 | C6 | H6 | 120.8° | 120.1° |
| C4 | C5 | CL | 116.4° | 119.7° |
| C4 | C5 | C9 | 120.6° | 120.5° |
| N11 | C7 | C8 | 110.6° | 107.4° |
| C7 | N11 | C10 | 104.7° | 108.8° |
| C7 | N11 | H19 | 127.7° | 125.6° |
| C7 | C8 | C9 | 122.0° | 119.8° |
| C7 | C8 | C11 | 105.9° | 107.0° |
| N11 | C10 | C12 | 123.5° | 125.5° |
| N11 | C10 | C11 | 111.1° | 109.1° |
| C10 | N11 | H19 | 127.6° | 125.6° |
| CL | C5 | C9 | 122.9° | 119.8° |
| C5 | C9 | C8 | 116.3° | 119.9° |
| C5 | C9 | H7 | 121.8° | 120.0° |
| C9 | C8 | C11 | 131.8° | 133.2° |
| C8 | C9 | H7 | 121.8° | 120.1° |
| C8 | C11 | C10 | 107.6° | 107.8° |
| C8 | C11 | H8 | 126.2° | 126.2° |
| O3 | C12 | C10 | 117.6° | 120.0° |
| O3 | C12 | N2 | 125.8° | 120.0° |
| C12 | C10 | C11 | 125.4° | 125.4° |
| C10 | C12 | N2 | 116.4° | 120.0° |
| C10 | C11 | H8 | 126.2° | 126.1° |
| C12 | N2 | C13 | 122.1° | 120.0° |
| C12 | N2 | H18 | 119.0° | 120.0° |
| N2 | C13 | C14 | 109.5° | 109.5° |
| N2 | C13 | C21 | 108.0° | 109.5° |
| N2 | C13 | H9 | 111.6° | 109.5° |
| C13 | N2 | H18 | 119.0° | 120.0° |
| C14 | C13 | C21 | 105.7° | 109.5° |
| C13 | C14 | C19 | 123.6° | 119.8° |
| C13 | C14 | C15 | 117.9° | 119.9° |
| C14 | C13 | H9 | 111.1° | 109.5° |
| C13 | C21 | O6 | 110.3° | 109.4° |
| C21 | C13 | H9 | 110.7° | 109.5° |
| C13 | C21 | H15 | 109.3° | 109.5° |
| C13 | C21 | H16 | 109.3° | 109.4° |
| O6 | C21 | H15 | 109.3° | 109.5° |
| O6 | C21 | H16 | 109.3° | 109.5° |
| C21 | O6 | H17 | 109.5° | 114.0° |
| C14 | C19 | C18 | 120.3° | 120.1° |
| C19 | C14 | C15 | 118.5° | 120.3° |
| C14 | C19 | H14 | 119.8° | 120.0° |
| C19 | C18 | C17 | 120.6° | 119.9° |
| C19 | C18 | H13 | 119.7° | 120.1° |
| C18 | C19 | H14 | 119.9° | 119.9° |
| C14 | C15 | C16 | 120.9° | 120.2° |
| C14 | C15 | H10 | 119.6° | 119.9° |
| C18 | C17 | C16 | 117.5° | 119.7° |
| C18 | C17 | C20 | 122.3° | 120.2° |
| C17 | C18 | H13 | 119.7° | 120.0° |
| C15 | C16 | C17 | 122.1° | 119.8° |
| C16 | C15 | H10 | 119.6° | 119.9° |
| C15 | C16 | H11 | 119.0° | 120.1° |
| C16 | C17 | C20 | 120.2° | 120.1° |
| C17 | C16 | H11 | 119.0° | 120.1° |
| C17 | C20 | O5 | 111.6° | 120.0° |
| C17 | C20 | O4 | 125.4° | 120.0° |
| O5 | C20 | O4 | 123.0° | 120.0° |
| C20 | O4 | H12 | 109.5° | 116.9° |
| H2 | C2 | H3 | 109.5° | 110.6° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H15 | C21 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | N | O1 | 176.9° | 180.0° |
| O | C | N | C2 | 165.5° | 180.0° |
| O | C | O1 | C1 | 179.9° | 179.9° |
| O | C | N | H20 | 14.5° | 0.0° |
| C | N | C2 | H20 | 180.0° | 180.0° |
| C | N | C2 | C1 | 19.1° | 0.1° |
| N | C | O1 | C1 | 2.8° | 0.1° |
| C | N | C2 | H2 | 99.0° | 118.6° |
| C | N | C2 | H3 | 137.2° | 118.6° |
| C2 | N | C | O1 | 11.4° | 0.0° |
| N | C2 | C1 | H2 | 118.1° | 118.5° |
| N | C2 | C1 | H3 | 118.1° | 118.7° |
| N | C2 | C1 | O1 | 20.3° | 0.1° |
| N | C2 | C1 | C3 | 89.4° | 118.6° |
| N | C2 | C1 | H1 | 146.9° | 118.8° |
| N | C2 | H2 | H3 | 125.3° | 122.9° |
| C | O1 | C1 | C2 | 15.2° | 0.1° |
| C | O1 | C1 | C3 | 99.7° | 118.6° |
| C | O1 | C1 | H1 | 140.8° | 118.8° |
| O1 | C | N | H20 | 168.6° | 180.0° |
| C2 | C1 | O1 | C3 | 114.8° | 118.7° |
| C2 | C1 | O1 | H1 | 125.6° | 118.7° |
| C2 | C1 | C3 | H1 | 123.7° | 122.6° |
| C2 | C1 | C3 | O2 | 89.7° | 176.9° |
| C1 | C2 | H2 | H3 | 125.3° | 122.8° |
| C2 | C1 | C3 | H4 | 29.7° | 56.9° |
| C2 | C1 | C3 | H5 | 150.9° | 63.1° |
| C1 | C2 | N | H20 | 160.9° | 179.9° |
| O1 | C1 | C3 | H1 | 120.7° | 122.6° |
| O1 | C1 | C3 | O2 | 154.7° | 68.4° |
| O1 | C1 | C2 | H2 | 97.8° | 118.6° |
| O1 | C1 | C2 | H3 | 138.4° | 118.6° |
| O1 | C1 | C3 | H4 | 85.8° | 171.7° |
| O1 | C1 | C3 | H5 | 35.3° | 51.6° |
| C1 | C3 | O2 | H4 | 119.4° | 119.9° |
| C1 | C3 | O2 | H5 | 119.4° | 120.0° |
| C1 | C3 | O2 | C4 | 119.9° | 180.0° |
| C3 | C1 | C2 | H2 | 152.5° | 0.1° |
| C3 | C1 | C2 | H3 | 28.8° | 122.7° |
| C1 | C3 | H4 | H5 | 121.7° | 120.0° |
| C3 | O2 | C4 | C6 | 132.9° | 0.2° |
| C3 | O2 | C4 | C5 | 51.2° | 180.0° |
| O2 | C3 | C1 | H1 | 34.0° | 54.3° |
| O2 | C3 | H4 | H5 | 121.7° | 120.0° |
| O2 | C4 | C6 | C5 | 176.0° | 179.8° |
| O2 | C4 | C6 | C7 | 174.4° | 179.7° |
| O2 | C4 | C5 | CL | 3.8° | 0.2° |
| O2 | C4 | C5 | C9 | 175.6° | 179.8° |
| C4 | O2 | C3 | H4 | 120.7° | 60.0° |
| C4 | O2 | C3 | H5 | 0.5° | 60.0° |
| O2 | C4 | C6 | H6 | 5.6° | 0.2° |
| C4 | C6 | C7 | H6 | 180.0° | 179.9° |
| C4 | C6 | C7 | N11 | 179.0° | 180.0° |
| C4 | C6 | C7 | C8 | 1.1° | 0.1° |
| C6 | C4 | C5 | CL | 179.2° | 180.0° |
| C6 | C4 | C5 | C9 | 0.2° | 0.0° |
| C7 | C6 | C4 | C5 | 1.7° | 0.1° |
| C6 | C7 | N11 | C8 | 178.0° | 180.0° |
| C6 | C7 | N11 | C10 | 177.2° | 180.0° |
| C6 | C7 | C8 | C9 | 1.1° | 0.0° |
| C6 | C7 | C8 | C11 | 175.4° | 180.0° |
| C6 | C7 | N11 | H19 | 2.8° | 0.0° |
| C4 | C5 | CL | C9 | 179.4° | 180.0° |
| C4 | C5 | C9 | C8 | 2.3° | 0.1° |
| C5 | C4 | C6 | H6 | 178.4° | 180.0° |
| C4 | C5 | C9 | H7 | 177.7° | 180.0° |
| C7 | N11 | C10 | H19 | 180.0° | 179.9° |
| N11 | C7 | C8 | C9 | 177.1° | 180.0° |
| N11 | C7 | C8 | C11 | 2.9° | 0.0° |
| C7 | N11 | C10 | C12 | 178.7° | 179.9° |
| C7 | N11 | C10 | C11 | 1.5° | 0.0° |
| N11 | C7 | C6 | H6 | 1.0° | 0.0° |
| C8 | C7 | N11 | C10 | 0.8° | 0.0° |
| C7 | C8 | C9 | C5 | 2.9° | 0.1° |
| C7 | C8 | C9 | C11 | 172.5° | 180.0° |
| C7 | C8 | C11 | C10 | 3.7° | 0.0° |
| C8 | C7 | C6 | H6 | 178.9° | 180.0° |
| C7 | C8 | C9 | H7 | 177.1° | 180.0° |
| C7 | C8 | C11 | H8 | 176.3° | 180.0° |
| C8 | C7 | N11 | H19 | 179.2° | 180.0° |
| N11 | C10 | C11 | C8 | 3.4° | 0.0° |
| N11 | C10 | C12 | O3 | 10.2° | 179.9° |
| N11 | C10 | C12 | C11 | 176.7° | 179.9° |
| N11 | C10 | C12 | N2 | 163.8° | 0.1° |
| N11 | C10 | C11 | H8 | 176.6° | 180.0° |
| CL | C5 | C9 | C8 | 177.0° | 180.0° |
| CL | C5 | C9 | H7 | 3.0° | 0.0° |
| C5 | C9 | C8 | H7 | 180.0° | 179.9° |
| C5 | C9 | C8 | C11 | 175.4° | 180.0° |
| C9 | C8 | C11 | C10 | 177.1° | 180.0° |
| C9 | C8 | C11 | H8 | 2.9° | 0.1° |
| C8 | C11 | C10 | C12 | 179.6° | 179.9° |
| C8 | C11 | C10 | H8 | 180.0° | 180.0° |
| C11 | C8 | C9 | H7 | 4.6° | 0.0° |
| O3 | C12 | C10 | N2 | 174.0° | 180.0° |
| O3 | C12 | C10 | C11 | 173.1° | 0.1° |
| O3 | C12 | N2 | C13 | 10.7° | 0.0° |
| O3 | C12 | N2 | H18 | 169.3° | 180.0° |
| C10 | C12 | N2 | C13 | 175.8° | 180.0° |
| C12 | C10 | C11 | H8 | 0.5° | 0.1° |
| C10 | C12 | N2 | H18 | 4.2° | 0.0° |
| C12 | C10 | N11 | H19 | 1.3° | 0.1° |
| C11 | C10 | C12 | N2 | 12.9° | 179.9° |
| C11 | C10 | N11 | H19 | 178.5° | 180.0° |
| C12 | N2 | C13 | H18 | 180.0° | 179.9° |
| C12 | N2 | C13 | C14 | 79.8° | 155.0° |
| C12 | N2 | C13 | C21 | 165.6° | 85.0° |
| C12 | N2 | C13 | H9 | 43.7° | 35.0° |
| N2 | C13 | C14 | C21 | 116.1° | 120.0° |
| N2 | C13 | C14 | H9 | 123.8° | 120.0° |
| N2 | C13 | C21 | H9 | 122.5° | 120.0° |
| N2 | C13 | C21 | O6 | 67.4° | 65.0° |
| N2 | C13 | C14 | C19 | 133.1° | 39.7° |
| N2 | C13 | C14 | C15 | 45.3° | 140.0° |
| N2 | C13 | C21 | H15 | 172.5° | 55.0° |
| N2 | C13 | C21 | H16 | 52.7° | 175.0° |
| C14 | C13 | C21 | H9 | 120.4° | 120.0° |
| C14 | C13 | C21 | O6 | 175.5° | 55.0° |
| C13 | C14 | C19 | C15 | 178.4° | 179.7° |
| C13 | C14 | C19 | C18 | 177.3° | 179.7° |
| C13 | C14 | C15 | C16 | 179.6° | 180.0° |
| C13 | C14 | C15 | H10 | 0.4° | 0.1° |
| C13 | C14 | C19 | H14 | 2.7° | 0.1° |
| C14 | C13 | C21 | H15 | 55.4° | 175.0° |
| C14 | C13 | C21 | H16 | 64.4° | 65.0° |
| C14 | C13 | N2 | H18 | 100.2° | 25.1° |
| C13 | C21 | O6 | H15 | 120.1° | 120.1° |
| C13 | C21 | O6 | H16 | 120.1° | 120.0° |
| C21 | C13 | C14 | C19 | 110.8° | 80.3° |
| C21 | C13 | C14 | C15 | 70.8° | 100.0° |
| C13 | C21 | H15 | H16 | 119.6° | 120.0° |
| C13 | C21 | O6 | H17 | 180.0° | 180.0° |
| C21 | C13 | N2 | H18 | 14.4° | 95.0° |
| O6 | C21 | C13 | H9 | 55.1° | 175.0° |
| O6 | C21 | H15 | H16 | 119.6° | 120.0° |
| C14 | C19 | C18 | H14 | 180.0° | 179.8° |
| C14 | C19 | C18 | C17 | 2.9° | 0.5° |
| C19 | C14 | C15 | C16 | 1.9° | 0.3° |
| C19 | C14 | C13 | H9 | 9.4° | 159.7° |
| C19 | C14 | C15 | H10 | 178.1° | 179.8° |
| C14 | C19 | C18 | H13 | 177.1° | 179.7° |
| C18 | C19 | C14 | C15 | 4.3° | 0.5° |
| C19 | C18 | C17 | H13 | 180.0° | 179.8° |
| C19 | C18 | C17 | C16 | 0.9° | 0.2° |
| C19 | C18 | C17 | C20 | 178.8° | 179.7° |
| C14 | C15 | C16 | H10 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 2.0° | 0.0° |
| C15 | C14 | C13 | H9 | 169.0° | 20.0° |
| C14 | C15 | C16 | H11 | 178.0° | 179.9° |
| C15 | C14 | C19 | H14 | 175.7° | 179.6° |
| C18 | C17 | C16 | C15 | 3.3° | 0.0° |
| C18 | C17 | C16 | C20 | 177.9° | 179.9° |
| C18 | C17 | C20 | O5 | 34.9° | 180.0° |
| C18 | C17 | C20 | O4 | 143.8° | 0.0° |
| C18 | C17 | C16 | H11 | 176.7° | 180.0° |
| C17 | C18 | C19 | H14 | 177.1° | 179.7° |
| C15 | C16 | C17 | H11 | 180.0° | 179.9° |
| C15 | C16 | C17 | C20 | 178.7° | 180.0° |
| C16 | C17 | C20 | O5 | 142.9° | 0.1° |
| C16 | C17 | C20 | O4 | 38.3° | 180.0° |
| C17 | C16 | C15 | H10 | 178.0° | 179.9° |
| C16 | C17 | C18 | H13 | 179.1° | 180.0° |
| C17 | C20 | O5 | O4 | 178.8° | 180.0° |
| C20 | C17 | C16 | H11 | 1.3° | 0.1° |
| C17 | C20 | O4 | H12 | 178.6° | 180.0° |
| C20 | C17 | C18 | H13 | 1.2° | 0.1° |
| O5 | C20 | O4 | H12 | 0.0° | 0.0° |
| H1 | C1 | C2 | H2 | 28.8° | 122.7° |
| H1 | C1 | C2 | H3 | 95.0° | 0.0° |
| H1 | C1 | C3 | H4 | 153.4° | 65.7° |
| H1 | C1 | C3 | H5 | 85.4° | 174.3° |
| H2 | C2 | N | H20 | 81.0° | 61.4° |
| H3 | C2 | N | H20 | 42.8° | 61.4° |
| H9 | C13 | C21 | H15 | 65.0° | 65.0° |
| H9 | C13 | C21 | H16 | 175.2° | 55.0° |
| H9 | C13 | N2 | H18 | 136.3° | 145.1° |
| H10 | C15 | C16 | H11 | 2.0° | 0.0° |
| H13 | C18 | C19 | H14 | 2.9° | 0.1° |
| H15 | C21 | O6 | H17 | 59.9° | 60.0° |
| H16 | C21 | O6 | H17 | 59.9° | 60.0° |
