ONU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C13 | doub | 1.22Å | 1.23Å | |
| C13 | N2 | sing | 1.34Å | 1.37Å | |
| C13 | C12 | sing | 1.46Å | 1.42Å | |
| N2 | C14 | sing | 1.38Å | 1.39Å | |
| C12 | C11 | doub | 1.37Å | 1.36Å | |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C19 | sing | 1.41Å | 1.41Å | Aromatic |
| C11 | C19 | sing | 1.47Å | 1.46Å | |
| C11 | C10 | sing | 1.48Å | 1.48Å | |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | O1 | doub | 1.21Å | 1.22Å | |
| C10 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | C8 | sing | 1.47Å | 1.47Å | |
| N1 | C9 | sing | 1.47Å | 1.47Å | |
| C8 | C7 | sing | 1.54Å | 1.54Å | |
| C16 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.37Å | 1.38Å | Aromatic |
| C9 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | N | sing | 1.47Å | 1.45Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| N | C6 | sing | 1.40Å | 1.37Å | |
| C6 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | O | sing | 1.36Å | 1.37Å | |
| O | C | sing | 1.43Å | 1.43Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| N | H14 | sing | 0.97Å | 1.00Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.08Å | 1.08Å | |
| C2 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C13 | N2 | 120.2° | 119.5° |
| O2 | C13 | C12 | 123.8° | 119.5° |
| N2 | C13 | C12 | 115.9° | 121.0° |
| C13 | N2 | C14 | 124.3° | 121.3° |
| C13 | N2 | H9 | 117.9° | 119.3° |
| C13 | C12 | C11 | 123.1° | 119.5° |
| C13 | C12 | H8 | 118.5° | 120.2° |
| N2 | C14 | C15 | 120.7° | 120.5° |
| N2 | C14 | C19 | 119.4° | 120.2° |
| C14 | N2 | H9 | 117.9° | 119.3° |
| C12 | C11 | C19 | 119.7° | 118.5° |
| C12 | C11 | C10 | 119.4° | 120.8° |
| C11 | C12 | H8 | 118.5° | 120.3° |
| C15 | C14 | C19 | 119.9° | 119.3° |
| C14 | C15 | C16 | 119.6° | 119.9° |
| C14 | C15 | H6 | 120.2° | 120.0° |
| C14 | C19 | C11 | 117.6° | 119.5° |
| C14 | C19 | C18 | 119.4° | 119.9° |
| C19 | C11 | C10 | 120.9° | 120.7° |
| C11 | C19 | C18 | 123.0° | 120.7° |
| C11 | C10 | O1 | 120.1° | 120.0° |
| C11 | C10 | N1 | 118.1° | 120.0° |
| C15 | C16 | C17 | 120.7° | 120.6° |
| C16 | C15 | H6 | 120.2° | 120.1° |
| C15 | C16 | H11 | 119.7° | 119.8° |
| C19 | C18 | C17 | 119.9° | 119.8° |
| C19 | C18 | H10 | 120.1° | 120.1° |
| O1 | C10 | N1 | 121.8° | 120.0° |
| C10 | N1 | C8 | 139.3° | 136.1° |
| C10 | N1 | C9 | 125.5° | 136.0° |
| C8 | N1 | C9 | 94.7° | 87.9° |
| N1 | C8 | C7 | 88.2° | 88.0° |
| N1 | C8 | H4 | 114.5° | 113.5° |
| N1 | C8 | H5 | 114.5° | 113.5° |
| N1 | C9 | C7 | 88.2° | 88.0° |
| N1 | C9 | H12 | 114.5° | 113.5° |
| N1 | C9 | H13 | 114.5° | 113.5° |
| C8 | C7 | C9 | 88.8° | 83.3° |
| C8 | C7 | N | 115.9° | 114.2° |
| C8 | C7 | H3 | 110.9° | 114.2° |
| C7 | C8 | H4 | 114.5° | 113.5° |
| C7 | C8 | H5 | 114.5° | 113.4° |
| C16 | C17 | C18 | 120.5° | 120.5° |
| C16 | C17 | H7 | 119.7° | 119.7° |
| C17 | C16 | H11 | 119.7° | 119.6° |
| C18 | C17 | H7 | 119.8° | 119.7° |
| C17 | C18 | H10 | 120.0° | 120.1° |
| C9 | C7 | N | 116.0° | 114.2° |
| C9 | C7 | H3 | 110.9° | 114.4° |
| C7 | C9 | H12 | 114.5° | 113.4° |
| C7 | C9 | H13 | 114.5° | 113.5° |
| C7 | N | C6 | 123.5° | 120.0° |
| N | C7 | H3 | 112.3° | 113.3° |
| C7 | N | H14 | 105.9° | 120.0° |
| C4 | C5 | C6 | 119.6° | 120.0° |
| C5 | C4 | C3 | 120.4° | 120.2° |
| C5 | C4 | H1 | 119.8° | 119.9° |
| C4 | C5 | H2 | 120.2° | 120.0° |
| C5 | C6 | N | 122.9° | 120.1° |
| C5 | C6 | C1 | 119.5° | 119.8° |
| C6 | C5 | H2 | 120.2° | 120.0° |
| C4 | C3 | C2 | 120.7° | 120.2° |
| C3 | C4 | H1 | 119.8° | 120.0° |
| C4 | C3 | H18 | 119.6° | 119.9° |
| N | C6 | C1 | 117.6° | 120.1° |
| C6 | N | H14 | 105.9° | 120.0° |
| C6 | C1 | C2 | 120.5° | 119.9° |
| C6 | C1 | O | 114.3° | 120.1° |
| C3 | C2 | C1 | 119.2° | 120.0° |
| C2 | C3 | H18 | 119.7° | 119.9° |
| C3 | C2 | H19 | 120.4° | 120.0° |
| C2 | C1 | O | 125.1° | 120.0° |
| C1 | C2 | H19 | 120.4° | 120.0° |
| C1 | O | C | 118.2° | 117.0° |
| O | C | H15 | 109.5° | 109.5° |
| O | C | H16 | 109.5° | 109.5° |
| O | C | H17 | 109.4° | 109.5° |
| H4 | C8 | H5 | 109.5° | 112.8° |
| H12 | C9 | H13 | 109.5° | 112.8° |
| H15 | C | H16 | 109.5° | 109.5° |
| H15 | C | H17 | 109.5° | 109.5° |
| H16 | C | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C13 | N2 | C12 | 177.6° | 179.8° |
| O2 | C13 | N2 | C14 | 176.4° | 179.7° |
| O2 | C13 | C12 | C11 | 175.6° | 179.8° |
| O2 | C13 | C12 | H8 | 4.4° | 0.3° |
| O2 | C13 | N2 | H9 | 3.6° | 0.1° |
| C13 | N2 | C14 | H9 | 180.0° | 179.8° |
| N2 | C13 | C12 | C11 | 2.0° | 0.0° |
| C13 | N2 | C14 | C15 | 178.9° | 180.0° |
| C13 | N2 | C14 | C19 | 0.7° | 0.1° |
| N2 | C13 | C12 | H8 | 178.1° | 179.9° |
| C12 | C13 | N2 | C14 | 1.2° | 0.1° |
| C13 | C12 | C11 | H8 | 180.0° | 179.9° |
| C13 | C12 | C11 | C19 | 0.8° | 0.0° |
| C13 | C12 | C11 | C10 | 178.5° | 180.0° |
| C12 | C13 | N2 | H9 | 178.7° | 179.9° |
| N2 | C14 | C15 | C19 | 179.5° | 180.0° |
| N2 | C14 | C19 | C11 | 1.9° | 0.0° |
| N2 | C14 | C15 | C16 | 179.9° | 179.9° |
| N2 | C14 | C19 | C18 | 178.2° | 180.0° |
| N2 | C14 | C15 | H6 | 0.2° | 0.0° |
| C12 | C11 | C19 | C14 | 1.2° | 0.0° |
| C12 | C11 | C19 | C10 | 179.3° | 180.0° |
| C12 | C11 | C19 | C18 | 178.8° | 180.0° |
| C12 | C11 | C10 | O1 | 115.1° | 101.1° |
| C12 | C11 | C10 | N1 | 66.7° | 78.8° |
| C15 | C14 | C19 | C11 | 177.7° | 180.0° |
| C14 | C15 | C16 | H6 | 180.0° | 180.0° |
| C15 | C14 | C19 | C18 | 2.3° | 0.0° |
| C14 | C15 | C16 | C17 | 1.4° | 0.0° |
| C15 | C14 | N2 | H9 | 1.1° | 0.1° |
| C14 | C15 | C16 | H11 | 178.6° | 180.0° |
| C14 | C19 | C11 | C18 | 180.0° | 180.0° |
| C14 | C19 | C11 | C10 | 179.5° | 180.0° |
| C19 | C14 | C15 | C16 | 0.4° | 0.0° |
| C14 | C19 | C18 | C17 | 2.5° | 0.0° |
| C19 | C14 | C15 | H6 | 179.7° | 180.0° |
| C19 | C14 | N2 | H9 | 179.4° | 179.9° |
| C14 | C19 | C18 | H10 | 177.5° | 180.0° |
| C19 | C11 | C10 | O1 | 65.6° | 78.9° |
| C19 | C11 | C10 | N1 | 112.6° | 101.2° |
| C11 | C19 | C18 | C17 | 177.4° | 179.9° |
| C19 | C11 | C12 | H8 | 179.3° | 179.9° |
| C11 | C19 | C18 | H10 | 2.6° | 0.0° |
| C10 | C11 | C19 | C18 | 0.4° | 0.0° |
| C11 | C10 | O1 | N1 | 178.1° | 179.9° |
| C11 | C10 | N1 | C8 | 0.7° | 175.0° |
| C11 | C10 | N1 | C9 | 169.2° | 4.6° |
| C10 | C11 | C12 | H8 | 1.5° | 0.0° |
| C15 | C16 | C17 | H11 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 1.2° | 0.0° |
| C15 | C16 | C17 | H7 | 178.8° | 180.0° |
| C19 | C18 | C17 | C16 | 0.8° | 0.0° |
| C19 | C18 | C17 | H10 | 180.0° | 179.9° |
| C19 | C18 | C17 | H7 | 179.2° | 180.0° |
| O1 | C10 | N1 | C8 | 178.9° | 5.1° |
| O1 | C10 | N1 | C9 | 8.9° | 175.3° |
| C10 | N1 | C8 | C9 | 171.8° | 179.7° |
| C10 | N1 | C8 | C7 | 170.9° | 152.6° |
| C10 | N1 | C9 | C7 | 172.5° | 152.6° |
| C10 | N1 | C8 | H4 | 72.9° | 37.8° |
| C10 | N1 | C8 | H5 | 54.7° | 92.7° |
| C10 | N1 | C9 | H12 | 56.3° | 92.7° |
| C10 | N1 | C9 | H13 | 71.3° | 37.8° |
| N1 | C8 | C7 | H4 | 116.2° | 114.8° |
| N1 | C8 | C7 | H5 | 116.2° | 114.8° |
| C8 | N1 | C9 | C7 | 0.9° | 27.1° |
| N1 | C8 | C7 | N | 117.6° | 139.7° |
| N1 | C8 | C7 | H3 | 112.8° | 87.7° |
| N1 | C8 | H4 | H5 | 130.1° | 130.8° |
| C8 | N1 | C9 | H12 | 117.1° | 87.6° |
| C8 | N1 | C9 | H13 | 115.3° | 141.9° |
| N1 | C9 | C7 | H12 | 116.2° | 114.8° |
| N1 | C9 | C7 | H13 | 116.2° | 114.8° |
| N1 | C9 | C7 | N | 117.6° | 139.6° |
| N1 | C9 | C7 | H3 | 112.8° | 87.5° |
| C9 | N1 | C8 | H4 | 115.3° | 141.9° |
| C9 | N1 | C8 | H5 | 117.1° | 87.6° |
| N1 | C9 | H12 | H13 | 130.1° | 130.8° |
| C8 | C7 | C9 | N | 118.5° | 113.5° |
| C8 | C7 | C9 | H3 | 112.0° | 113.6° |
| C8 | C7 | N | H3 | 128.9° | 133.0° |
| C8 | C7 | N | C6 | 66.3° | 158.4° |
| C7 | C8 | H4 | H5 | 130.1° | 130.7° |
| C8 | C7 | C9 | H12 | 117.0° | 88.7° |
| C8 | C7 | C9 | H13 | 115.4° | 140.8° |
| C8 | C7 | N | H14 | 55.6° | 21.6° |
| C16 | C17 | C18 | H7 | 180.0° | 180.0° |
| C17 | C16 | C15 | H6 | 178.5° | 180.0° |
| C16 | C17 | C18 | H10 | 179.2° | 180.0° |
| C18 | C17 | C16 | H11 | 178.8° | 180.0° |
| C9 | C7 | N | H3 | 128.9° | 133.4° |
| C9 | C7 | N | C6 | 168.5° | 108.0° |
| C9 | C7 | C8 | H4 | 115.4° | 140.9° |
| C9 | C7 | C8 | H5 | 117.1° | 88.7° |
| C7 | C9 | H12 | H13 | 130.1° | 130.8° |
| C9 | C7 | N | H14 | 46.6° | 72.0° |
| C7 | N | C6 | C5 | 17.9° | 0.1° |
| C7 | N | C6 | H14 | 121.9° | 180.0° |
| C7 | N | C6 | C1 | 162.7° | 179.9° |
| N | C7 | C8 | H4 | 126.2° | 105.5° |
| N | C7 | C8 | H5 | 1.4° | 24.8° |
| N | C7 | C9 | H12 | 1.4° | 24.9° |
| N | C7 | C9 | H13 | 126.2° | 105.6° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C5 | C4 | C3 | H1 | 180.0° | 179.7° |
| C4 | C5 | C6 | N | 179.2° | 180.0° |
| C4 | C5 | C6 | C1 | 0.2° | 0.0° |
| C5 | C4 | C3 | C2 | 0.1° | 0.0° |
| C5 | C4 | C3 | H18 | 179.9° | 179.8° |
| C6 | C5 | C4 | C3 | 0.5° | 0.0° |
| C5 | C6 | N | C1 | 179.4° | 180.0° |
| C5 | C6 | C1 | C2 | 0.5° | 0.0° |
| C5 | C6 | C1 | O | 178.2° | 180.0° |
| C6 | C5 | C4 | H1 | 179.4° | 179.7° |
| C5 | C6 | N | H14 | 139.8° | 180.0° |
| C4 | C3 | C2 | H18 | 180.0° | 179.7° |
| C4 | C3 | C2 | C1 | 0.6° | 0.0° |
| C3 | C4 | C5 | H2 | 179.4° | 180.0° |
| C4 | C3 | C2 | H19 | 179.4° | 180.0° |
| N | C6 | C1 | C2 | 179.9° | 180.0° |
| N | C6 | C1 | O | 1.3° | 0.0° |
| N | C6 | C5 | H2 | 0.8° | 0.0° |
| C6 | N | C7 | H3 | 62.6° | 25.4° |
| C6 | C1 | C2 | C3 | 0.9° | 0.0° |
| C6 | C1 | C2 | O | 178.5° | 180.0° |
| C6 | C1 | O | C | 173.4° | 180.0° |
| C1 | C6 | C5 | H2 | 179.7° | 180.0° |
| C1 | C6 | N | H14 | 40.7° | 0.0° |
| C6 | C1 | C2 | H19 | 179.1° | 180.0° |
| C3 | C2 | C1 | H19 | 180.0° | 180.0° |
| C3 | C2 | C1 | O | 177.6° | 180.0° |
| C2 | C3 | C4 | H1 | 179.9° | 179.7° |
| C2 | C1 | O | C | 8.1° | 0.0° |
| C1 | C2 | C3 | H18 | 179.4° | 179.7° |
| C1 | O | C | H15 | 180.0° | 180.0° |
| C1 | O | C | H16 | 60.0° | 60.0° |
| C1 | O | C | H17 | 60.0° | 60.0° |
| O | C1 | C2 | H19 | 2.4° | 0.0° |
| O | C | H15 | H16 | 120.0° | 120.0° |
| O | C | H15 | H17 | 120.0° | 120.0° |
| O | C | H16 | H17 | 120.0° | 120.0° |
| H1 | C4 | C5 | H2 | 0.6° | 0.3° |
| H1 | C4 | C3 | H18 | 0.1° | 0.0° |
| H3 | C7 | C8 | H4 | 3.4° | 27.1° |
| H3 | C7 | C8 | H5 | 131.0° | 157.4° |
| H3 | C7 | C9 | H12 | 131.0° | 157.7° |
| H3 | C7 | C9 | H13 | 3.4° | 27.3° |
| H3 | C7 | N | H14 | 175.5° | 154.6° |
| H6 | C15 | C16 | H11 | 1.5° | 0.0° |
| H7 | C17 | C18 | H10 | 0.8° | 0.1° |
| H7 | C17 | C16 | H11 | 1.3° | 0.0° |
| H15 | C | H16 | H17 | 120.0° | 120.0° |
| H18 | C3 | C2 | H19 | 0.6° | 0.3° |
