UAZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C14 | C13 | doub | 1.38Å | 1.36Å | Aromatic |
| C14 | C2 | sing | 1.39Å | 1.36Å | Aromatic |
| O1 | C2 | sing | 1.36Å | 1.36Å | |
| C13 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| O2 | C6 | doub | 1.22Å | 1.24Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | N1 | sing | 1.40Å | 1.40Å | |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.35Å | 1.35Å | |
| C6 | N2 | sing | 1.35Å | 1.33Å | |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | N2 | sing | 1.47Å | 1.47Å | |
| C7 | C8 | sing | 1.53Å | 1.50Å | |
| N2 | C12 | sing | 1.47Å | 1.49Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C12 | C11 | sing | 1.53Å | 1.50Å | |
| C9 | C11 | sing | 1.53Å | 1.50Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.08Å | 1.08Å | |
| N1 | H16 | sing | 0.97Å | 1.00Å | |
| C3 | H17 | sing | 1.08Å | 1.08Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C2 | 115.5° | 117.0° |
| O1 | C1 | H18 | 109.5° | 109.5° |
| O1 | C1 | H19 | 109.5° | 109.5° |
| O1 | C1 | H20 | 109.5° | 109.5° |
| C13 | C14 | C2 | 122.7° | 120.1° |
| C14 | C13 | C5 | 120.0° | 120.0° |
| C13 | C14 | H2 | 118.6° | 120.0° |
| C14 | C13 | H15 | 120.0° | 120.0° |
| C14 | C2 | O1 | 129.5° | 120.0° |
| C14 | C2 | C3 | 118.5° | 120.0° |
| C2 | C14 | H2 | 118.7° | 120.0° |
| O1 | C2 | C3 | 112.0° | 120.0° |
| C13 | C5 | N1 | 122.6° | 120.0° |
| C13 | C5 | C4 | 117.5° | 120.0° |
| C5 | C13 | H15 | 120.0° | 120.0° |
| O2 | C6 | N1 | 119.9° | 120.0° |
| O2 | C6 | N2 | 119.7° | 120.0° |
| C2 | C3 | C4 | 119.8° | 120.0° |
| C2 | C3 | H17 | 120.1° | 119.9° |
| N1 | C5 | C4 | 119.9° | 120.0° |
| C5 | N1 | C6 | 129.1° | 120.0° |
| C5 | N1 | H16 | 115.4° | 120.1° |
| C5 | C4 | C3 | 121.4° | 120.0° |
| C5 | C4 | H1 | 119.3° | 120.0° |
| N1 | C6 | N2 | 120.4° | 120.0° |
| C6 | N1 | H16 | 115.5° | 119.9° |
| C6 | N2 | C7 | 119.0° | 120.7° |
| C6 | N2 | C12 | 120.7° | 120.6° |
| C3 | C4 | H1 | 119.3° | 120.0° |
| C4 | C3 | H17 | 120.1° | 120.0° |
| N2 | C7 | C8 | 112.9° | 108.8° |
| C7 | N2 | C12 | 116.9° | 118.7° |
| N2 | C7 | H5 | 108.6° | 109.5° |
| N2 | C7 | H6 | 108.6° | 109.5° |
| C7 | C8 | C9 | 111.2° | 109.3° |
| C8 | C7 | H5 | 108.6° | 109.6° |
| C8 | C7 | H6 | 108.6° | 109.6° |
| C7 | C8 | H7 | 109.0° | 109.5° |
| C7 | C8 | H8 | 109.1° | 109.5° |
| N2 | C12 | C11 | 111.9° | 108.8° |
| N2 | C12 | H13 | 108.8° | 109.6° |
| N2 | C12 | H14 | 108.9° | 109.7° |
| C8 | C9 | C11 | 107.8° | 109.5° |
| C8 | C9 | C10 | 112.2° | 109.5° |
| C9 | C8 | H7 | 109.1° | 109.5° |
| C9 | C8 | H8 | 109.0° | 109.5° |
| C8 | C9 | H9 | 107.4° | 109.4° |
| C12 | C11 | C9 | 110.3° | 109.4° |
| C12 | C11 | H3 | 109.2° | 109.5° |
| C12 | C11 | H4 | 109.3° | 109.5° |
| C11 | C12 | H13 | 108.9° | 109.5° |
| C11 | C12 | H14 | 108.9° | 109.6° |
| C11 | C9 | C10 | 114.4° | 109.5° |
| C9 | C11 | H3 | 109.3° | 109.5° |
| C9 | C11 | H4 | 109.3° | 109.5° |
| C11 | C9 | H9 | 107.5° | 109.4° |
| C10 | C9 | H9 | 107.3° | 109.5° |
| C9 | C10 | H10 | 109.5° | 109.5° |
| C9 | C10 | H11 | 109.5° | 109.5° |
| C9 | C10 | H12 | 109.4° | 109.5° |
| H3 | C11 | H4 | 109.5° | 109.4° |
| H5 | C7 | H6 | 109.5° | 109.7° |
| H7 | C8 | H8 | 109.5° | 109.6° |
| H10 | C10 | H11 | 109.5° | 109.5° |
| H10 | C10 | H12 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.4° |
| H13 | C12 | H14 | 109.5° | 109.6° |
| H18 | C1 | H19 | 109.5° | 109.5° |
| H18 | C1 | H20 | 109.4° | 109.5° |
| H19 | C1 | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | C2 | C14 | 2.5° | 180.0° |
| C1 | O1 | C2 | C3 | 178.1° | 0.4° |
| O1 | C1 | H18 | H19 | 120.0° | 120.0° |
| O1 | C1 | H18 | H20 | 120.0° | 120.0° |
| O1 | C1 | H19 | H20 | 120.0° | 120.0° |
| C13 | C14 | C2 | H2 | 180.0° | 179.7° |
| C13 | C14 | C2 | O1 | 179.9° | 180.0° |
| C14 | C13 | C5 | H15 | 180.0° | 180.0° |
| C13 | C14 | C2 | C3 | 0.5° | 0.4° |
| C14 | C13 | C5 | N1 | 176.0° | 179.9° |
| C14 | C13 | C5 | C4 | 1.8° | 0.0° |
| C14 | C2 | O1 | C3 | 179.5° | 179.6° |
| C2 | C14 | C13 | C5 | 2.2° | 0.3° |
| C14 | C2 | C3 | C4 | 1.5° | 0.1° |
| C2 | C14 | C13 | H15 | 177.8° | 179.7° |
| C14 | C2 | C3 | H17 | 178.4° | 180.0° |
| O1 | C2 | C3 | C4 | 178.0° | 179.7° |
| O1 | C2 | C14 | H2 | 0.1° | 0.3° |
| O1 | C2 | C3 | H17 | 2.0° | 0.4° |
| C2 | O1 | C1 | H18 | 180.0° | 60.0° |
| C2 | O1 | C1 | H19 | 60.0° | 60.1° |
| C2 | O1 | C1 | H20 | 60.0° | 180.0° |
| C13 | C5 | N1 | C4 | 177.8° | 180.0° |
| C13 | C5 | N1 | C6 | 0.5° | 23.5° |
| C13 | C5 | C4 | C3 | 0.1° | 0.2° |
| C13 | C5 | C4 | H1 | 179.8° | 180.0° |
| C5 | C13 | C14 | H2 | 177.8° | 180.0° |
| C13 | C5 | N1 | H16 | 179.5° | 156.5° |
| O2 | C6 | N1 | C5 | 23.3° | 8.9° |
| O2 | C6 | N1 | N2 | 178.1° | 180.0° |
| O2 | C6 | N2 | C7 | 19.2° | 8.1° |
| O2 | C6 | N2 | C12 | 177.6° | 171.9° |
| O2 | C6 | N1 | H16 | 156.7° | 171.1° |
| C2 | C3 | C4 | C5 | 1.8° | 0.2° |
| C2 | C3 | C4 | H17 | 180.0° | 179.9° |
| C2 | C3 | C4 | H1 | 178.1° | 180.0° |
| C3 | C2 | C14 | H2 | 179.5° | 179.9° |
| C5 | N1 | C6 | H16 | 180.0° | 180.0° |
| C5 | N1 | C6 | N2 | 158.6° | 171.1° |
| N1 | C5 | C4 | C3 | 178.0° | 179.8° |
| N1 | C5 | C4 | H1 | 1.9° | 0.0° |
| N1 | C5 | C13 | H15 | 4.0° | 0.0° |
| C4 | C5 | N1 | C6 | 177.3° | 156.6° |
| C5 | C4 | C3 | H1 | 180.0° | 179.8° |
| C4 | C5 | C13 | H15 | 178.2° | 180.0° |
| C4 | C5 | N1 | H16 | 2.7° | 23.4° |
| C5 | C4 | C3 | H17 | 178.1° | 179.7° |
| N1 | C6 | N2 | C7 | 158.9° | 171.9° |
| N1 | C6 | N2 | C12 | 0.5° | 8.1° |
| C6 | N2 | C7 | C12 | 159.3° | 180.0° |
| C6 | N2 | C7 | C8 | 158.8° | 126.4° |
| C6 | N2 | C12 | C11 | 157.5° | 126.4° |
| C6 | N2 | C7 | H5 | 38.3° | 113.8° |
| C6 | N2 | C7 | H6 | 80.7° | 6.6° |
| C6 | N2 | C12 | H13 | 82.1° | 6.7° |
| C6 | N2 | C12 | H14 | 37.1° | 113.7° |
| N2 | C6 | N1 | H16 | 21.4° | 8.9° |
| N2 | C7 | C8 | H5 | 120.5° | 119.8° |
| N2 | C7 | C8 | H6 | 120.5° | 119.7° |
| N2 | C7 | C8 | C9 | 50.5° | 54.6° |
| C7 | N2 | C12 | C11 | 43.6° | 53.6° |
| N2 | C7 | H5 | H6 | 118.4° | 120.3° |
| N2 | C7 | C8 | H7 | 69.8° | 65.3° |
| N2 | C7 | C8 | H8 | 170.8° | 174.6° |
| C7 | N2 | C12 | H13 | 76.7° | 173.4° |
| C7 | N2 | C12 | H14 | 164.0° | 66.2° |
| C8 | C7 | N2 | C12 | 42.0° | 53.6° |
| C7 | C8 | C9 | H7 | 120.3° | 120.0° |
| C7 | C8 | C9 | H8 | 120.3° | 119.9° |
| C7 | C8 | C9 | C11 | 61.5° | 61.3° |
| C7 | C8 | C9 | C10 | 171.8° | 178.6° |
| C8 | C7 | H5 | H6 | 118.5° | 120.4° |
| C7 | C8 | H7 | H8 | 119.2° | 120.1° |
| C7 | C8 | C9 | H9 | 54.1° | 58.7° |
| N2 | C12 | C11 | H13 | 120.4° | 119.8° |
| N2 | C12 | C11 | H14 | 120.3° | 119.9° |
| N2 | C12 | C11 | C9 | 54.1° | 54.6° |
| N2 | C12 | C11 | H3 | 174.2° | 65.3° |
| N2 | C12 | C11 | H4 | 66.0° | 174.7° |
| C12 | N2 | C7 | H5 | 162.5° | 66.2° |
| C12 | N2 | C7 | H6 | 78.5° | 173.4° |
| N2 | C12 | H13 | H14 | 118.9° | 120.5° |
| C8 | C9 | C11 | C12 | 63.2° | 61.3° |
| C8 | C9 | C11 | C10 | 125.5° | 120.0° |
| C8 | C9 | C11 | H9 | 115.5° | 120.0° |
| C8 | C9 | C10 | H9 | 117.7° | 119.9° |
| C8 | C9 | C11 | H3 | 176.7° | 58.6° |
| C8 | C9 | C11 | H4 | 56.9° | 178.6° |
| C9 | C8 | C7 | H5 | 171.0° | 65.2° |
| C9 | C8 | C7 | H6 | 70.0° | 174.4° |
| C9 | C8 | H7 | H8 | 119.2° | 120.1° |
| C8 | C9 | C10 | H10 | 180.0° | 60.0° |
| C8 | C9 | C10 | H11 | 60.0° | 180.0° |
| C8 | C9 | C10 | H12 | 60.0° | 60.1° |
| C12 | C11 | C9 | H3 | 120.1° | 120.0° |
| C12 | C11 | C9 | H4 | 120.1° | 120.0° |
| C12 | C11 | C9 | C10 | 171.3° | 178.6° |
| C12 | C11 | H3 | H4 | 119.6° | 120.0° |
| C12 | C11 | C9 | H9 | 52.2° | 58.6° |
| C11 | C12 | H13 | H14 | 118.9° | 120.2° |
| C11 | C9 | C10 | H9 | 119.2° | 120.0° |
| C9 | C11 | H3 | H4 | 119.6° | 120.1° |
| C11 | C9 | C8 | H7 | 58.8° | 58.6° |
| C11 | C9 | C8 | H8 | 178.3° | 178.8° |
| C11 | C9 | C10 | H10 | 56.9° | 179.9° |
| C11 | C9 | C10 | H11 | 63.1° | 59.9° |
| C11 | C9 | C10 | H12 | 176.9° | 60.0° |
| C9 | C11 | C12 | H13 | 66.3° | 174.5° |
| C9 | C11 | C12 | H14 | 174.4° | 65.3° |
| C10 | C9 | C11 | H3 | 51.2° | 61.4° |
| C10 | C9 | C11 | H4 | 68.6° | 58.6° |
| C10 | C9 | C8 | H7 | 68.0° | 61.4° |
| C10 | C9 | C8 | H8 | 51.5° | 58.7° |
| C9 | C10 | H10 | H11 | 120.0° | 120.0° |
| C9 | C10 | H10 | H12 | 120.0° | 120.0° |
| C9 | C10 | H11 | H12 | 120.0° | 120.0° |
| H1 | C4 | C3 | H17 | 1.9° | 0.1° |
| H2 | C14 | C13 | H15 | 2.2° | 0.0° |
| H3 | C11 | C9 | H9 | 67.9° | 178.6° |
| H3 | C11 | C12 | H13 | 53.9° | 54.5° |
| H3 | C11 | C12 | H14 | 65.4° | 174.7° |
| H4 | C11 | C9 | H9 | 172.4° | 61.4° |
| H4 | C11 | C12 | H13 | 173.6° | 65.5° |
| H4 | C11 | C12 | H14 | 54.3° | 54.7° |
| H5 | C7 | C8 | H7 | 50.7° | 174.9° |
| H5 | C7 | C8 | H8 | 68.7° | 54.8° |
| H6 | C7 | C8 | H7 | 169.7° | 54.4° |
| H6 | C7 | C8 | H8 | 50.3° | 65.7° |
| H7 | C8 | C9 | H9 | 174.4° | 178.6° |
| H8 | C8 | C9 | H9 | 66.2° | 61.3° |
| H9 | C9 | C10 | H10 | 62.3° | 60.0° |
| H9 | C9 | C10 | H11 | 177.7° | 60.1° |
| H9 | C9 | C10 | H12 | 57.7° | 180.0° |
| H10 | C10 | H11 | H12 | 120.0° | 120.0° |
| H18 | C1 | H19 | H20 | 119.9° | 120.0° |
