UA8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | sing | 1.54Å | 1.48Å | |
| C8 | C7 | sing | 1.54Å | 1.49Å | |
| C9 | C10 | sing | 1.50Å | 1.48Å | |
| C7 | C6 | sing | 1.50Å | 1.53Å | |
| O1 | C5 | doub | 1.22Å | 1.27Å | |
| C10 | C11 | sing | 1.54Å | 1.52Å | |
| C6 | N2 | sing | 1.47Å | 1.46Å | |
| C6 | C12 | sing | 1.54Å | 1.52Å | |
| C5 | N2 | sing | 1.35Å | 1.24Å | |
| C5 | N1 | sing | 1.35Å | 1.38Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C4 | N1 | sing | 1.47Å | 1.47Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| N1 | C13 | sing | 1.47Å | 1.49Å | |
| C11 | C12 | sing | 1.46Å | 1.49Å | |
| C2 | C14 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| N2 | H20 | sing | 0.97Å | 1.00Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | H23 | sing | 1.09Å | 1.10Å | |
| C1 | H24 | sing | 1.09Å | 1.10Å | |
| C1 | H25 | sing | 1.09Å | 1.10Å | |
| C2 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C7 | 113.6° | 112.8° |
| C8 | C9 | C10 | 112.3° | 112.5° |
| C9 | C8 | H10 | 108.4° | 108.8° |
| C9 | C8 | H11 | 108.4° | 108.8° |
| C8 | C9 | H12 | 108.7° | 108.9° |
| C8 | C9 | H13 | 108.8° | 108.9° |
| C8 | C7 | C6 | 112.2° | 112.5° |
| C8 | C7 | H8 | 108.8° | 108.9° |
| C8 | C7 | H9 | 108.8° | 108.8° |
| C7 | C8 | H10 | 108.4° | 108.8° |
| C7 | C8 | H11 | 108.4° | 108.8° |
| C9 | C10 | C11 | 114.5° | 108.5° |
| C10 | C9 | H12 | 108.8° | 108.9° |
| C10 | C9 | H13 | 108.7° | 108.9° |
| C9 | C10 | H14 | 108.2° | 109.7° |
| C9 | C10 | H15 | 108.2° | 109.6° |
| C7 | C6 | N2 | 111.1° | 109.6° |
| C7 | C6 | C12 | 112.4° | 108.5° |
| C7 | C6 | H5 | 107.4° | 109.8° |
| C6 | C7 | H8 | 108.8° | 108.9° |
| C6 | C7 | H9 | 108.8° | 108.9° |
| O1 | C5 | N2 | 115.6° | 120.0° |
| O1 | C5 | N1 | 125.5° | 120.1° |
| C10 | C11 | C12 | 115.1° | 112.4° |
| C10 | C11 | H6 | 108.0° | 108.9° |
| C10 | C11 | H7 | 108.0° | 108.8° |
| C11 | C10 | H14 | 108.2° | 109.6° |
| C11 | C10 | H15 | 108.2° | 109.6° |
| N2 | C6 | C12 | 110.1° | 109.6° |
| C6 | N2 | C5 | 120.1° | 120.0° |
| N2 | C6 | H5 | 108.2° | 109.6° |
| C6 | N2 | H20 | 120.0° | 120.0° |
| C6 | C12 | C11 | 114.4° | 112.4° |
| C12 | C6 | H5 | 107.4° | 109.6° |
| C6 | C12 | H16 | 108.2° | 108.9° |
| C6 | C12 | H17 | 108.2° | 108.9° |
| N2 | C5 | N1 | 118.9° | 119.9° |
| C5 | N2 | H20 | 119.9° | 120.0° |
| C5 | N1 | C4 | 122.6° | 120.6° |
| C5 | N1 | C13 | 121.6° | 120.7° |
| C3 | C4 | N1 | 113.2° | 108.7° |
| C4 | C3 | C2 | 109.5° | 109.3° |
| C3 | C4 | H1 | 108.5° | 109.6° |
| C3 | C4 | H2 | 108.5° | 109.6° |
| C4 | C3 | H21 | 109.4° | 109.5° |
| C4 | C3 | H22 | 109.5° | 109.4° |
| C4 | N1 | C13 | 115.5° | 118.7° |
| N1 | C4 | H1 | 108.5° | 109.6° |
| N1 | C4 | H2 | 108.5° | 109.6° |
| C3 | C2 | C14 | 104.8° | 109.5° |
| C3 | C2 | C1 | 113.0° | 109.4° |
| C2 | C3 | H21 | 109.5° | 109.6° |
| C2 | C3 | H22 | 109.5° | 109.5° |
| C3 | C2 | H26 | 107.5° | 109.5° |
| N1 | C13 | C14 | 115.8° | 108.8° |
| N1 | C13 | H18 | 107.9° | 109.5° |
| N1 | C13 | H19 | 107.9° | 109.6° |
| C12 | C11 | H6 | 108.0° | 108.9° |
| C12 | C11 | H7 | 108.0° | 108.9° |
| C11 | C12 | H16 | 108.2° | 108.9° |
| C11 | C12 | H17 | 108.2° | 108.9° |
| C14 | C2 | C1 | 116.1° | 109.5° |
| C2 | C14 | C13 | 111.4° | 109.3° |
| C2 | C14 | H3 | 109.0° | 109.4° |
| C2 | C14 | H4 | 109.0° | 109.6° |
| C14 | C2 | H26 | 107.5° | 109.5° |
| C2 | C1 | H23 | 109.5° | 109.5° |
| C2 | C1 | H24 | 109.5° | 109.5° |
| C2 | C1 | H25 | 109.5° | 109.5° |
| C1 | C2 | H26 | 107.5° | 109.5° |
| C13 | C14 | H3 | 109.0° | 109.5° |
| C13 | C14 | H4 | 109.0° | 109.5° |
| C14 | C13 | H18 | 107.9° | 109.6° |
| C14 | C13 | H19 | 107.9° | 109.6° |
| H1 | C4 | H2 | 109.5° | 109.7° |
| H3 | C14 | H4 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.5° | 108.9° |
| H8 | C7 | H9 | 109.5° | 108.9° |
| H10 | C8 | H11 | 109.5° | 108.7° |
| H12 | C9 | H13 | 109.5° | 108.8° |
| H14 | C10 | H15 | 109.4° | 109.8° |
| H16 | C12 | H17 | 109.5° | 108.8° |
| H18 | C13 | H19 | 109.4° | 109.6° |
| H21 | C3 | H22 | 109.5° | 109.5° |
| H23 | C1 | H24 | 109.4° | 109.5° |
| H23 | C1 | H25 | 109.5° | 109.5° |
| H24 | C1 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C7 | H10 | 120.6° | 120.8° |
| C9 | C8 | C7 | H11 | 120.6° | 120.8° |
| C8 | C9 | C10 | H12 | 120.4° | 120.8° |
| C8 | C9 | C10 | H13 | 120.4° | 120.8° |
| C9 | C8 | C7 | C6 | 97.4° | 41.7° |
| C8 | C9 | C10 | C11 | 53.8° | 94.2° |
| C9 | C8 | C7 | H8 | 23.0° | 162.5° |
| C9 | C8 | C7 | H9 | 142.2° | 79.0° |
| C9 | C8 | H10 | H11 | 118.1° | 118.3° |
| C8 | C9 | H12 | H13 | 118.7° | 118.5° |
| C8 | C9 | C10 | H14 | 67.0° | 25.6° |
| C8 | C9 | C10 | H15 | 174.6° | 146.2° |
| C7 | C8 | C9 | C10 | 67.9° | 41.7° |
| C8 | C7 | C6 | H8 | 120.4° | 120.8° |
| C8 | C7 | C6 | H9 | 120.4° | 120.7° |
| C8 | C7 | C6 | N2 | 175.4° | 146.1° |
| C8 | C7 | C6 | C12 | 60.7° | 94.2° |
| C8 | C7 | C6 | H5 | 57.2° | 25.6° |
| C8 | C7 | H8 | H9 | 118.7° | 118.5° |
| C7 | C8 | H10 | H11 | 118.1° | 118.4° |
| C7 | C8 | C9 | H12 | 171.7° | 79.1° |
| C7 | C8 | C9 | H13 | 52.5° | 162.5° |
| C9 | C10 | C11 | H14 | 120.8° | 119.8° |
| C9 | C10 | C11 | H15 | 120.8° | 119.7° |
| C9 | C10 | C11 | C12 | 81.2° | 80.0° |
| C9 | C10 | C11 | H6 | 158.0° | 40.7° |
| C9 | C10 | C11 | H7 | 39.6° | 159.3° |
| C10 | C9 | C8 | H10 | 171.5° | 162.6° |
| C10 | C9 | C8 | H11 | 52.8° | 79.2° |
| C10 | C9 | H12 | H13 | 118.7° | 118.5° |
| C9 | C10 | H14 | H15 | 117.7° | 120.5° |
| C7 | C6 | N2 | C12 | 125.2° | 119.0° |
| C7 | C6 | N2 | H5 | 117.7° | 120.6° |
| C7 | C6 | C12 | H5 | 117.9° | 120.0° |
| C7 | C6 | N2 | C5 | 59.7° | 86.0° |
| C7 | C6 | C12 | C11 | 16.7° | 80.0° |
| C6 | C7 | H8 | H9 | 118.8° | 118.6° |
| C6 | C7 | C8 | H10 | 142.0° | 79.1° |
| C6 | C7 | C8 | H11 | 23.2° | 162.6° |
| C7 | C6 | C12 | H16 | 137.4° | 40.7° |
| C7 | C6 | C12 | H17 | 104.0° | 159.2° |
| C7 | C6 | N2 | H20 | 120.3° | 94.0° |
| O1 | C5 | N2 | C6 | 6.9° | 5.0° |
| O1 | C5 | N2 | N1 | 177.5° | 179.9° |
| O1 | C5 | N1 | C4 | 12.7° | 5.3° |
| O1 | C5 | N1 | C13 | 172.9° | 174.7° |
| O1 | C5 | N2 | H20 | 173.1° | 175.0° |
| C10 | C11 | C12 | C6 | 82.0° | 61.9° |
| C10 | C11 | C12 | H6 | 120.8° | 120.7° |
| C10 | C11 | C12 | H7 | 120.8° | 120.6° |
| C10 | C11 | H6 | H7 | 117.4° | 118.5° |
| C11 | C10 | C9 | H12 | 174.2° | 26.6° |
| C11 | C10 | C9 | H13 | 66.6° | 145.1° |
| C11 | C10 | H14 | H15 | 117.7° | 120.4° |
| C10 | C11 | C12 | H16 | 157.3° | 58.8° |
| C10 | C11 | C12 | H17 | 38.7° | 177.3° |
| N2 | C6 | C12 | H5 | 117.6° | 120.3° |
| C6 | N2 | C5 | H20 | 180.0° | 180.0° |
| C6 | N2 | C5 | N1 | 170.6° | 175.1° |
| N2 | C6 | C12 | C11 | 107.8° | 160.3° |
| N2 | C6 | C7 | H8 | 64.2° | 25.4° |
| N2 | C6 | C7 | H9 | 55.0° | 93.2° |
| N2 | C6 | C12 | H16 | 12.9° | 79.0° |
| N2 | C6 | C12 | H17 | 131.5° | 39.5° |
| C12 | C6 | N2 | C5 | 175.1° | 155.0° |
| C6 | C12 | C11 | H16 | 120.7° | 120.7° |
| C6 | C12 | C11 | H17 | 120.7° | 120.8° |
| C6 | C12 | C11 | H6 | 157.2° | 58.8° |
| C6 | C12 | C11 | H7 | 38.8° | 177.5° |
| C12 | C6 | C7 | H8 | 59.7° | 145.1° |
| C12 | C6 | C7 | H9 | 178.9° | 26.5° |
| C6 | C12 | H16 | H17 | 117.8° | 118.6° |
| C12 | C6 | N2 | H20 | 4.9° | 25.0° |
| N2 | C5 | N1 | C4 | 164.5° | 174.8° |
| N2 | C5 | N1 | C13 | 9.9° | 5.2° |
| C5 | N2 | C6 | H5 | 58.0° | 34.6° |
| C5 | N1 | C4 | C3 | 146.0° | 126.4° |
| C5 | N1 | C4 | C13 | 174.7° | 180.0° |
| C5 | N1 | C13 | C14 | 151.7° | 126.4° |
| C5 | N1 | C4 | H1 | 93.5° | 6.6° |
| C5 | N1 | C4 | H2 | 25.4° | 113.9° |
| C5 | N1 | C13 | H18 | 87.4° | 6.5° |
| C5 | N1 | C13 | H19 | 30.7° | 113.8° |
| N1 | C5 | N2 | H20 | 9.4° | 5.0° |
| C3 | C4 | N1 | H1 | 120.6° | 119.8° |
| C3 | C4 | N1 | H2 | 120.5° | 119.7° |
| C4 | C3 | C2 | H21 | 120.0° | 120.0° |
| C4 | C3 | C2 | H22 | 120.0° | 119.9° |
| C3 | C4 | N1 | C13 | 39.3° | 53.6° |
| C4 | C3 | C2 | C14 | 68.2° | 61.4° |
| C4 | C3 | C2 | C1 | 164.4° | 178.6° |
| C3 | C4 | H1 | H2 | 118.3° | 120.4° |
| C4 | C3 | H21 | H22 | 120.0° | 120.0° |
| C4 | C3 | C2 | H26 | 46.0° | 58.6° |
| N1 | C4 | C3 | C2 | 58.2° | 54.7° |
| C4 | N1 | C13 | C14 | 33.6° | 53.6° |
| N1 | C4 | H1 | H2 | 118.3° | 120.4° |
| C4 | N1 | C13 | H18 | 87.3° | 173.5° |
| C4 | N1 | C13 | H19 | 154.5° | 66.3° |
| N1 | C4 | C3 | H21 | 61.8° | 65.4° |
| N1 | C4 | C3 | H22 | 178.2° | 174.6° |
| C3 | C2 | C14 | C1 | 125.4° | 120.0° |
| C3 | C2 | C14 | H26 | 114.2° | 120.0° |
| C3 | C2 | C1 | H26 | 118.5° | 120.0° |
| C3 | C2 | C14 | C13 | 61.8° | 61.4° |
| C2 | C3 | C4 | H1 | 62.3° | 174.4° |
| C2 | C3 | C4 | H2 | 178.7° | 65.1° |
| C3 | C2 | C14 | H3 | 58.5° | 178.7° |
| C3 | C2 | C14 | H4 | 177.9° | 58.6° |
| C2 | C3 | H21 | H22 | 120.0° | 120.1° |
| C3 | C2 | C1 | H23 | 180.0° | 60.0° |
| C3 | C2 | C1 | H24 | 60.0° | 179.9° |
| C3 | C2 | C1 | H25 | 60.0° | 60.0° |
| N1 | C13 | C14 | C2 | 45.9° | 54.7° |
| N1 | C13 | C14 | H18 | 120.9° | 119.8° |
| N1 | C13 | C14 | H19 | 120.9° | 119.9° |
| C13 | N1 | C4 | H1 | 81.2° | 173.4° |
| C13 | N1 | C4 | H2 | 159.9° | 66.1° |
| N1 | C13 | C14 | H3 | 74.4° | 174.6° |
| N1 | C13 | C14 | H4 | 166.2° | 65.3° |
| N1 | C13 | H18 | H19 | 117.1° | 120.3° |
| C11 | C12 | C6 | H5 | 134.6° | 40.0° |
| C12 | C11 | H6 | H7 | 117.4° | 118.7° |
| C12 | C11 | C10 | H14 | 39.5° | 39.8° |
| C12 | C11 | C10 | H15 | 158.0° | 160.3° |
| C11 | C12 | H16 | H17 | 117.7° | 118.6° |
| C14 | C2 | C1 | H26 | 120.4° | 120.0° |
| C2 | C14 | C13 | H3 | 120.3° | 119.9° |
| C2 | C14 | C13 | H4 | 120.3° | 120.0° |
| C2 | C14 | H3 | H4 | 119.1° | 120.1° |
| C2 | C14 | C13 | H18 | 75.0° | 174.5° |
| C2 | C14 | C13 | H19 | 166.9° | 65.2° |
| C14 | C2 | C3 | H21 | 51.8° | 58.6° |
| C14 | C2 | C3 | H22 | 171.8° | 178.7° |
| C14 | C2 | C1 | H23 | 58.9° | 180.0° |
| C14 | C2 | C1 | H24 | 61.1° | 59.9° |
| C14 | C2 | C1 | H25 | 178.9° | 60.0° |
| C1 | C2 | C14 | C13 | 172.7° | 178.6° |
| C1 | C2 | C14 | H3 | 66.9° | 58.7° |
| C1 | C2 | C14 | H4 | 52.5° | 61.4° |
| C1 | C2 | C3 | H21 | 75.6° | 61.4° |
| C1 | C2 | C3 | H22 | 44.5° | 58.7° |
| C2 | C1 | H23 | H24 | 120.0° | 120.0° |
| C2 | C1 | H23 | H25 | 120.0° | 120.0° |
| C2 | C1 | H24 | H25 | 120.0° | 120.0° |
| C13 | C14 | H3 | H4 | 119.1° | 120.1° |
| C14 | C13 | H18 | H19 | 117.1° | 120.4° |
| C13 | C14 | C2 | H26 | 52.4° | 58.6° |
| H1 | C4 | C3 | H21 | 177.6° | 54.4° |
| H1 | C4 | C3 | H22 | 57.6° | 65.6° |
| H2 | C4 | C3 | H21 | 58.7° | 174.9° |
| H2 | C4 | C3 | H22 | 61.3° | 54.8° |
| H3 | C14 | C13 | H18 | 164.7° | 65.7° |
| H3 | C14 | C13 | H19 | 46.6° | 54.7° |
| H3 | C14 | C2 | H26 | 172.7° | 61.3° |
| H4 | C14 | C13 | H18 | 45.3° | 54.4° |
| H4 | C14 | C13 | H19 | 72.9° | 174.8° |
| H4 | C14 | C2 | H26 | 67.9° | 178.6° |
| H5 | C6 | C7 | H8 | 177.6° | 95.1° |
| H5 | C6 | C7 | H9 | 63.2° | 146.3° |
| H5 | C6 | C12 | H16 | 104.7° | 160.7° |
| H5 | C6 | C12 | H17 | 13.9° | 80.8° |
| H5 | C6 | N2 | H20 | 122.1° | 145.4° |
| H6 | C11 | C10 | H14 | 81.3° | 160.5° |
| H6 | C11 | C10 | H15 | 37.2° | 79.0° |
| H6 | C11 | C12 | H16 | 36.5° | 179.5° |
| H6 | C11 | C12 | H17 | 82.1° | 62.0° |
| H7 | C11 | C10 | H14 | 160.3° | 80.9° |
| H7 | C11 | C10 | H15 | 81.2° | 39.6° |
| H7 | C11 | C12 | H16 | 81.9° | 61.8° |
| H7 | C11 | C12 | H17 | 159.5° | 56.7° |
| H8 | C7 | C8 | H10 | 97.6° | 41.7° |
| H8 | C7 | C8 | H11 | 143.6° | 76.7° |
| H9 | C7 | C8 | H10 | 21.6° | 160.2° |
| H9 | C7 | C8 | H11 | 97.2° | 41.8° |
| H10 | C8 | C9 | H12 | 51.1° | 41.8° |
| H10 | C8 | C9 | H13 | 68.1° | 76.7° |
| H11 | C8 | C9 | H12 | 67.7° | 160.1° |
| H11 | C8 | C9 | H13 | 173.2° | 41.6° |
| H12 | C9 | C10 | H14 | 53.5° | 146.4° |
| H12 | C9 | C10 | H15 | 65.0° | 93.0° |
| H13 | C9 | C10 | H14 | 172.6° | 95.2° |
| H13 | C9 | C10 | H15 | 54.1° | 25.4° |
| H21 | C3 | C2 | H26 | 166.0° | 178.6° |
| H22 | C3 | C2 | H26 | 74.0° | 61.3° |
| H23 | C1 | H24 | H25 | 120.0° | 120.0° |
| H23 | C1 | C2 | H26 | 61.5° | 60.0° |
| H24 | C1 | C2 | H26 | 178.5° | 60.1° |
| H25 | C1 | C2 | H26 | 58.5° | 179.9° |
