U9Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | sing | 1.54Å | 1.51Å | |
| C13 | N1 | sing | 1.47Å | 1.47Å | |
| C14 | C2 | sing | 1.53Å | 1.52Å | |
| O1 | C5 | doub | 1.22Å | 1.23Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C5 | N1 | sing | 1.35Å | 1.35Å | |
| C5 | N2 | sing | 1.35Å | 1.37Å | |
| N1 | C4 | sing | 1.47Å | 1.46Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| N2 | C6 | sing | 1.40Å | 1.42Å | |
| C6 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| F1 | C10 | sing | 1.40Å | 1.33Å | |
| C9 | C10 | sing | 1.51Å | 1.49Å | |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | F3 | sing | 1.40Å | 1.33Å | |
| C10 | F2 | sing | 1.40Å | 1.34Å | |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| 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 | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | N1 | 112.8° | 108.7° |
| C13 | C14 | C2 | 112.8° | 109.2° |
| C13 | C14 | H3 | 108.6° | 109.5° |
| C13 | C14 | H4 | 108.6° | 109.5° |
| C14 | C13 | H9 | 108.7° | 109.6° |
| C14 | C13 | H10 | 108.7° | 109.5° |
| C13 | N1 | C5 | 116.3° | 120.6° |
| C13 | N1 | C4 | 114.9° | 118.7° |
| N1 | C13 | H9 | 108.6° | 109.6° |
| N1 | C13 | H10 | 108.6° | 109.7° |
| C14 | C2 | C1 | 111.2° | 109.4° |
| C14 | C2 | C3 | 109.8° | 109.6° |
| C2 | C14 | H3 | 108.7° | 109.5° |
| C2 | C14 | H4 | 108.6° | 109.5° |
| C14 | C2 | H17 | 108.3° | 109.5° |
| O1 | C5 | N1 | 120.6° | 120.0° |
| O1 | C5 | N2 | 121.9° | 120.0° |
| C1 | C2 | C3 | 111.2° | 109.4° |
| C2 | C1 | H14 | 109.5° | 109.5° |
| C2 | C1 | H15 | 109.4° | 109.5° |
| C2 | C1 | H16 | 109.4° | 109.5° |
| C1 | C2 | H17 | 108.2° | 109.5° |
| C2 | C3 | C4 | 113.4° | 109.3° |
| C2 | C3 | H12 | 108.5° | 109.5° |
| C2 | C3 | H13 | 108.5° | 109.5° |
| C3 | C2 | H17 | 108.1° | 109.5° |
| N1 | C5 | N2 | 117.4° | 120.0° |
| C5 | N1 | C4 | 128.8° | 120.6° |
| C5 | N2 | C6 | 126.5° | 120.0° |
| C5 | N2 | H11 | 116.7° | 120.0° |
| N1 | C4 | C3 | 109.9° | 108.9° |
| N1 | C4 | H1 | 109.4° | 109.6° |
| N1 | C4 | H2 | 109.4° | 109.6° |
| C11 | C12 | C6 | 119.6° | 119.9° |
| C12 | C11 | C9 | 121.0° | 120.1° |
| C12 | C11 | H5 | 119.5° | 119.9° |
| C11 | C12 | H8 | 120.2° | 120.0° |
| C12 | C6 | N2 | 123.2° | 120.1° |
| C12 | C6 | C7 | 119.1° | 119.9° |
| C6 | C12 | H8 | 120.2° | 120.0° |
| C11 | C9 | C10 | 120.8° | 119.9° |
| C11 | C9 | C8 | 119.9° | 120.1° |
| C9 | C11 | H5 | 119.5° | 120.0° |
| C3 | C4 | H1 | 109.4° | 109.6° |
| C3 | C4 | H2 | 109.3° | 109.6° |
| C4 | C3 | H12 | 108.5° | 109.5° |
| C4 | C3 | H13 | 108.5° | 109.6° |
| N2 | C6 | C7 | 117.6° | 120.1° |
| C6 | N2 | H11 | 116.7° | 120.0° |
| C6 | C7 | C8 | 121.0° | 119.9° |
| C6 | C7 | H6 | 119.5° | 120.1° |
| F1 | C10 | C9 | 113.2° | 109.5° |
| F1 | C10 | F3 | 106.2° | 109.4° |
| F1 | C10 | F2 | 105.7° | 109.5° |
| C10 | C9 | C8 | 119.2° | 120.0° |
| C9 | C10 | F3 | 112.2° | 109.5° |
| C9 | C10 | F2 | 112.8° | 109.5° |
| C9 | C8 | C7 | 119.2° | 120.1° |
| C9 | C8 | H7 | 120.4° | 119.9° |
| F3 | C10 | F2 | 106.2° | 109.5° |
| C8 | C7 | H6 | 119.5° | 120.0° |
| C7 | C8 | H7 | 120.4° | 119.9° |
| H1 | C4 | H2 | 109.4° | 109.6° |
| H3 | C14 | H4 | 109.5° | 109.5° |
| H9 | C13 | H10 | 109.5° | 109.7° |
| H12 | C3 | H13 | 109.5° | 109.4° |
| H14 | C1 | H15 | 109.5° | 109.5° |
| H14 | C1 | H16 | 109.5° | 109.4° |
| H15 | C1 | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | N1 | H9 | 120.5° | 119.8° |
| C14 | C13 | N1 | H10 | 120.5° | 119.8° |
| C13 | C14 | C2 | H3 | 120.5° | 119.9° |
| C13 | C14 | C2 | H4 | 120.5° | 120.0° |
| C13 | C14 | C2 | C1 | 92.4° | 178.6° |
| C13 | C14 | C2 | C3 | 31.1° | 61.4° |
| C14 | C13 | N1 | C5 | 158.3° | 126.4° |
| C14 | C13 | N1 | C4 | 22.9° | 53.5° |
| C13 | C14 | H3 | H4 | 118.5° | 120.1° |
| C14 | C13 | H9 | H10 | 118.5° | 120.3° |
| C13 | C14 | C2 | H17 | 148.9° | 58.7° |
| N1 | C13 | C14 | C2 | 59.3° | 54.7° |
| C13 | N1 | C5 | O1 | 11.7° | 5.4° |
| C13 | N1 | C5 | C4 | 178.6° | 180.0° |
| C13 | N1 | C5 | N2 | 170.5° | 174.5° |
| C13 | N1 | C4 | C3 | 35.1° | 53.5° |
| C13 | N1 | C4 | H1 | 155.2° | 173.4° |
| C13 | N1 | C4 | H2 | 85.0° | 66.3° |
| N1 | C13 | C14 | H3 | 61.2° | 174.6° |
| N1 | C13 | C14 | H4 | 179.8° | 65.3° |
| N1 | C13 | H9 | H10 | 118.5° | 120.5° |
| C14 | C2 | C1 | C3 | 122.7° | 120.0° |
| C14 | C2 | C1 | H17 | 118.7° | 120.0° |
| C14 | C2 | C3 | H17 | 117.9° | 120.1° |
| C14 | C2 | C3 | C4 | 27.3° | 61.4° |
| C2 | C14 | H3 | H4 | 118.5° | 120.1° |
| C2 | C14 | C13 | H9 | 61.2° | 174.5° |
| C2 | C14 | C13 | H10 | 179.8° | 65.2° |
| C14 | C2 | C3 | H12 | 147.9° | 58.6° |
| C14 | C2 | C3 | H13 | 93.3° | 178.6° |
| C14 | C2 | C1 | H14 | 180.0° | 60.0° |
| C14 | C2 | C1 | H15 | 60.0° | 180.0° |
| C14 | C2 | C1 | H16 | 60.0° | 60.0° |
| O1 | C5 | N1 | N2 | 177.7° | 180.0° |
| O1 | C5 | N1 | C4 | 169.7° | 174.5° |
| O1 | C5 | N2 | C6 | 26.9° | 7.5° |
| O1 | C5 | N2 | H11 | 153.1° | 172.5° |
| C1 | C2 | C3 | H17 | 118.6° | 120.0° |
| C1 | C2 | C3 | C4 | 150.7° | 178.7° |
| C1 | C2 | C14 | H3 | 147.1° | 58.7° |
| C1 | C2 | C14 | H4 | 28.1° | 61.4° |
| C1 | C2 | C3 | H12 | 88.7° | 61.4° |
| C1 | C2 | C3 | H13 | 30.1° | 58.6° |
| C2 | C1 | H14 | H15 | 120.0° | 120.0° |
| C2 | C1 | H14 | H16 | 120.0° | 120.0° |
| C2 | C1 | H15 | H16 | 120.0° | 120.0° |
| C2 | C3 | C4 | N1 | 63.2° | 54.5° |
| C2 | C3 | C4 | H12 | 120.6° | 119.9° |
| C2 | C3 | C4 | H13 | 120.6° | 120.0° |
| C2 | C3 | C4 | H1 | 176.7° | 174.4° |
| C2 | C3 | C4 | H2 | 56.9° | 65.3° |
| C3 | C2 | C14 | H3 | 89.4° | 178.6° |
| C3 | C2 | C14 | H4 | 151.6° | 58.5° |
| C2 | C3 | H12 | H13 | 118.2° | 120.1° |
| C3 | C2 | C1 | H14 | 57.3° | 60.0° |
| C3 | C2 | C1 | H15 | 177.4° | 60.0° |
| C3 | C2 | C1 | H16 | 62.7° | 180.0° |
| C5 | N1 | C4 | C3 | 143.5° | 126.4° |
| N1 | C5 | N2 | C6 | 155.4° | 172.5° |
| C5 | N1 | C4 | H1 | 23.4° | 6.6° |
| C5 | N1 | C4 | H2 | 96.4° | 113.7° |
| C5 | N1 | C13 | H9 | 81.2° | 6.7° |
| C5 | N1 | C13 | H10 | 37.8° | 113.8° |
| N1 | C5 | N2 | H11 | 24.7° | 7.5° |
| N2 | C5 | N1 | C4 | 8.1° | 5.5° |
| C5 | N2 | C6 | C12 | 29.1° | 32.7° |
| C5 | N2 | C6 | H11 | 180.0° | 180.0° |
| C5 | N2 | C6 | C7 | 153.8° | 147.0° |
| N1 | C4 | C3 | H1 | 120.1° | 119.9° |
| N1 | C4 | C3 | H2 | 120.1° | 119.9° |
| N1 | C4 | H1 | H2 | 119.8° | 120.3° |
| C4 | N1 | C13 | H9 | 97.6° | 173.3° |
| C4 | N1 | C13 | H10 | 143.4° | 66.2° |
| N1 | C4 | C3 | H12 | 176.2° | 65.4° |
| N1 | C4 | C3 | H13 | 57.4° | 174.6° |
| C11 | C12 | C6 | H8 | 180.0° | 180.0° |
| C12 | C11 | C9 | H5 | 180.0° | 179.9° |
| C11 | C12 | C6 | N2 | 178.8° | 179.7° |
| C11 | C12 | C6 | C7 | 1.7° | 0.0° |
| C12 | C11 | C9 | C10 | 179.2° | 180.0° |
| C12 | C11 | C9 | C8 | 2.8° | 0.0° |
| C6 | C12 | C11 | C9 | 1.7° | 0.0° |
| C12 | C6 | N2 | C7 | 177.1° | 179.7° |
| C12 | C6 | C7 | C8 | 4.0° | 0.0° |
| C6 | C12 | C11 | H5 | 178.3° | 179.9° |
| C12 | C6 | C7 | H6 | 175.9° | 180.0° |
| C12 | C6 | N2 | H11 | 150.9° | 147.2° |
| C11 | C9 | C10 | F1 | 20.6° | 150.0° |
| C11 | C9 | C10 | C8 | 178.0° | 180.0° |
| C11 | C9 | C10 | F3 | 99.5° | 90.1° |
| C11 | C9 | C10 | F2 | 140.5° | 30.0° |
| C11 | C9 | C8 | C7 | 0.5° | 0.1° |
| C11 | C9 | C8 | H7 | 179.5° | 180.0° |
| C9 | C11 | C12 | H8 | 178.3° | 180.0° |
| C3 | C4 | H1 | H2 | 119.8° | 120.2° |
| C4 | C3 | H12 | H13 | 118.2° | 120.1° |
| C4 | C3 | C2 | H17 | 90.6° | 58.7° |
| N2 | C6 | C7 | C8 | 178.7° | 179.7° |
| N2 | C6 | C7 | H6 | 1.3° | 0.3° |
| N2 | C6 | C12 | H8 | 1.2° | 0.3° |
| C6 | C7 | C8 | C9 | 3.0° | 0.0° |
| C6 | C7 | C8 | H6 | 180.0° | 180.0° |
| C6 | C7 | C8 | H7 | 177.1° | 180.0° |
| C7 | C6 | C12 | H8 | 178.3° | 180.0° |
| C7 | C6 | N2 | H11 | 26.3° | 33.0° |
| F1 | C10 | C9 | F3 | 120.1° | 120.0° |
| F1 | C10 | C9 | F2 | 119.9° | 120.0° |
| F1 | C10 | C9 | C8 | 157.4° | 30.0° |
| F1 | C10 | F3 | F2 | 112.2° | 120.0° |
| C9 | C10 | F3 | F2 | 123.7° | 120.0° |
| C10 | C9 | C8 | C7 | 178.4° | 180.0° |
| C10 | C9 | C11 | H5 | 0.7° | 0.1° |
| C10 | C9 | C8 | H7 | 1.5° | 0.0° |
| C8 | C9 | C10 | F3 | 82.5° | 89.9° |
| C8 | C9 | C10 | F2 | 37.5° | 150.0° |
| C9 | C8 | C7 | H7 | 180.0° | 179.9° |
| C8 | C9 | C11 | H5 | 177.2° | 179.9° |
| C9 | C8 | C7 | H6 | 177.0° | 179.9° |
| H1 | C4 | C3 | H12 | 56.1° | 54.5° |
| H1 | C4 | C3 | H13 | 62.7° | 65.5° |
| H2 | C4 | C3 | H12 | 63.7° | 174.7° |
| H2 | C4 | C3 | H13 | 177.5° | 54.7° |
| H3 | C14 | C13 | H9 | 178.3° | 65.6° |
| H3 | C14 | C13 | H10 | 59.2° | 54.8° |
| H3 | C14 | C2 | H17 | 28.5° | 61.3° |
| H4 | C14 | C13 | H9 | 59.3° | 54.5° |
| H4 | C14 | C13 | H10 | 59.8° | 174.9° |
| H4 | C14 | C2 | H17 | 90.6° | 178.6° |
| H5 | C11 | C12 | H8 | 1.7° | 0.1° |
| H6 | C7 | C8 | H7 | 3.0° | 0.0° |
| H12 | C3 | C2 | H17 | 30.0° | 178.7° |
| H13 | C3 | C2 | H17 | 148.8° | 61.4° |
| H14 | C1 | H15 | H16 | 120.0° | 120.0° |
| H14 | C1 | C2 | H17 | 61.3° | 179.9° |
| H15 | C1 | C2 | H17 | 58.8° | 60.0° |
| H16 | C1 | C2 | H17 | 178.7° | 60.0° |
