U1X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | sing | 1.55Å | 1.47Å | |
| C9 | C10 | sing | 1.55Å | 1.51Å | |
| C8 | C7 | sing | 1.54Å | 1.52Å | |
| C10 | N1 | sing | 1.47Å | 1.46Å | |
| C7 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C | sing | 1.35Å | 1.36Å | |
| N | C | sing | 1.35Å | 1.36Å | |
| N | C1 | sing | 1.40Å | 1.41Å | |
| C | O | doub | 1.22Å | 1.22Å | |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| N | H10 | sing | 0.97Å | 1.00Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| C3 | H12 | sing | 1.08Å | 1.08Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C9 | C10 | 104.8° | 101.5° |
| C9 | C8 | C7 | 105.4° | 103.0° |
| C9 | C8 | H6 | 110.5° | 110.7° |
| C9 | C8 | H7 | 110.5° | 110.9° |
| C8 | C9 | H13 | 110.6° | 111.0° |
| C8 | C9 | H14 | 110.6° | 111.0° |
| C9 | C10 | N1 | 103.7° | 104.7° |
| C9 | C10 | H8 | 110.9° | 110.5° |
| C9 | C10 | H9 | 110.9° | 110.4° |
| C10 | C9 | H13 | 110.6° | 111.1° |
| C10 | C9 | H14 | 110.6° | 110.9° |
| C8 | C7 | N1 | 103.6° | 107.3° |
| C8 | C7 | H4 | 110.9° | 109.8° |
| C8 | C7 | H5 | 110.9° | 110.0° |
| C7 | C8 | H6 | 110.5° | 110.8° |
| C7 | C8 | H7 | 110.5° | 110.7° |
| C10 | N1 | C7 | 111.3° | 108.7° |
| C10 | N1 | C | 124.0° | 125.7° |
| N1 | C10 | H8 | 110.9° | 110.4° |
| N1 | C10 | H9 | 110.9° | 110.4° |
| C7 | N1 | C | 124.7° | 125.7° |
| N1 | C7 | H4 | 110.9° | 109.9° |
| N1 | C7 | H5 | 110.9° | 109.9° |
| N1 | C | N | 115.9° | 120.0° |
| N1 | C | O | 121.5° | 120.0° |
| C | N | C1 | 126.4° | 120.0° |
| N | C | O | 122.7° | 120.0° |
| C | N | H10 | 116.8° | 120.0° |
| N | C1 | C2 | 120.9° | 120.1° |
| N | C1 | C6 | 119.7° | 120.0° |
| C1 | N | H10 | 116.7° | 120.1° |
| C2 | C1 | C6 | 119.4° | 119.9° |
| C1 | C2 | C3 | 119.9° | 120.0° |
| C1 | C2 | H11 | 120.0° | 120.0° |
| C1 | C6 | C5 | 120.0° | 119.9° |
| C1 | C6 | H3 | 120.0° | 120.1° |
| C2 | C3 | C4 | 120.5° | 120.1° |
| C3 | C2 | H11 | 120.1° | 120.0° |
| C2 | C3 | H12 | 119.7° | 120.0° |
| C6 | C5 | C4 | 120.3° | 120.1° |
| C6 | C5 | H2 | 119.8° | 120.0° |
| C5 | C6 | H3 | 120.0° | 120.0° |
| C3 | C4 | C5 | 119.9° | 120.1° |
| C3 | C4 | H1 | 120.1° | 119.9° |
| C4 | C3 | H12 | 119.8° | 120.0° |
| C5 | C4 | H1 | 120.1° | 120.0° |
| C4 | C5 | H2 | 119.9° | 119.9° |
| H4 | C7 | H5 | 109.4° | 109.9° |
| H6 | C8 | H7 | 109.5° | 110.6° |
| H8 | C10 | H9 | 109.5° | 110.3° |
| H13 | C9 | H14 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C9 | C10 | H13 | 119.2° | 118.1° |
| C8 | C9 | C10 | H14 | 119.3° | 118.0° |
| C9 | C8 | C7 | H6 | 119.3° | 118.4° |
| C9 | C8 | C7 | H7 | 119.4° | 118.5° |
| C8 | C9 | C10 | N1 | 29.1° | 37.3° |
| C9 | C8 | C7 | N1 | 25.4° | 22.2° |
| C9 | C8 | C7 | H4 | 93.7° | 97.3° |
| C9 | C8 | C7 | H5 | 144.5° | 141.7° |
| C9 | C8 | H6 | H7 | 121.9° | 123.3° |
| C8 | C9 | C10 | H8 | 90.0° | 81.6° |
| C8 | C9 | C10 | H9 | 148.2° | 156.1° |
| C8 | C9 | H13 | H14 | 122.2° | 124.0° |
| C10 | C9 | C8 | C7 | 34.1° | 35.6° |
| C9 | C10 | N1 | H8 | 119.0° | 119.0° |
| C9 | C10 | N1 | H9 | 119.1° | 118.8° |
| C9 | C10 | N1 | C7 | 13.4° | 24.5° |
| C9 | C10 | N1 | C | 164.9° | 155.8° |
| C10 | C9 | C8 | H6 | 153.5° | 154.1° |
| C10 | C9 | C8 | H7 | 85.2° | 82.8° |
| C9 | C10 | H8 | H9 | 122.7° | 122.4° |
| C10 | C9 | H13 | H14 | 122.1° | 123.9° |
| C8 | C7 | N1 | C10 | 7.1° | 1.3° |
| C8 | C7 | N1 | H4 | 119.1° | 119.4° |
| C8 | C7 | N1 | H5 | 119.1° | 119.5° |
| C8 | C7 | N1 | C | 174.7° | 179.0° |
| C8 | C7 | H4 | H5 | 122.7° | 121.1° |
| C7 | C8 | H6 | H7 | 121.9° | 123.1° |
| C7 | C8 | C9 | H13 | 153.4° | 82.5° |
| C7 | C8 | C9 | H14 | 85.1° | 153.5° |
| C10 | N1 | C7 | C | 178.2° | 179.7° |
| C10 | N1 | C | N | 7.6° | 0.3° |
| C10 | N1 | C | O | 172.6° | 179.6° |
| C10 | N1 | C7 | H4 | 112.0° | 120.7° |
| C10 | N1 | C7 | H5 | 126.1° | 118.2° |
| N1 | C10 | H8 | H9 | 122.7° | 122.2° |
| N1 | C10 | C9 | H13 | 148.3° | 80.8° |
| N1 | C10 | C9 | H14 | 90.2° | 155.3° |
| C7 | N1 | C | N | 170.3° | 180.0° |
| C7 | N1 | C | O | 9.4° | 0.0° |
| N1 | C7 | H4 | H5 | 122.7° | 121.1° |
| N1 | C7 | C8 | H6 | 144.8° | 140.6° |
| N1 | C7 | C8 | H7 | 93.9° | 96.4° |
| C7 | N1 | C10 | H8 | 105.7° | 94.5° |
| C7 | N1 | C10 | H9 | 132.4° | 143.3° |
| N1 | C | N | O | 179.7° | 180.0° |
| N1 | C | N | C1 | 178.6° | 175.3° |
| C | N1 | C7 | H4 | 66.2° | 59.6° |
| C | N1 | C7 | H5 | 55.7° | 61.5° |
| C | N1 | C10 | H8 | 76.1° | 85.2° |
| C | N1 | C10 | H9 | 45.8° | 37.0° |
| N1 | C | N | H10 | 1.4° | 4.6° |
| C | N | C1 | H10 | 180.0° | 179.9° |
| C | N | C1 | C2 | 45.2° | 35.2° |
| C | N | C1 | C6 | 134.4° | 145.0° |
| C1 | N | C | O | 1.1° | 4.6° |
| N | C1 | C2 | C6 | 179.6° | 179.8° |
| N | C1 | C2 | C3 | 179.5° | 179.7° |
| N | C1 | C6 | C5 | 179.3° | 179.9° |
| N | C1 | C6 | H3 | 0.7° | 0.1° |
| N | C1 | C2 | H11 | 0.4° | 0.1° |
| O | C | N | H10 | 178.9° | 175.4° |
| C1 | C2 | C3 | H11 | 180.0° | 179.8° |
| C2 | C1 | C6 | C5 | 0.3° | 0.1° |
| C1 | C2 | C3 | C4 | 0.3° | 0.4° |
| C2 | C1 | C6 | H3 | 179.7° | 180.0° |
| C2 | C1 | N | H10 | 134.8° | 144.9° |
| C1 | C2 | C3 | H12 | 179.7° | 180.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.2° |
| C1 | C6 | C5 | H3 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 0.1° | 0.1° |
| C1 | C6 | C5 | H2 | 179.8° | 179.9° |
| C6 | C1 | N | H10 | 45.6° | 35.0° |
| C6 | C1 | C2 | H11 | 179.9° | 179.9° |
| C2 | C3 | C4 | H12 | 180.0° | 179.5° |
| C2 | C3 | C4 | C5 | 0.4° | 0.5° |
| C2 | C3 | C4 | H1 | 179.6° | 179.8° |
| C6 | C5 | C4 | C3 | 0.2° | 0.2° |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C6 | C5 | C4 | H1 | 179.8° | 179.9° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C3 | C4 | C5 | H2 | 179.8° | 179.8° |
| C4 | C3 | C2 | H11 | 179.7° | 179.8° |
| C4 | C5 | C6 | H3 | 179.9° | 180.0° |
| C5 | C4 | C3 | H12 | 179.5° | 180.0° |
| H1 | C4 | C5 | H2 | 0.2° | 0.0° |
| H1 | C4 | C3 | H12 | 0.5° | 0.3° |
| H2 | C5 | C6 | H3 | 0.2° | 0.0° |
| H4 | C7 | C8 | H6 | 25.7° | 21.1° |
| H4 | C7 | C8 | H7 | 147.0° | 144.2° |
| H5 | C7 | C8 | H6 | 96.2° | 99.9° |
| H5 | C7 | C8 | H7 | 25.1° | 23.1° |
| H6 | C8 | C9 | H13 | 87.3° | 35.9° |
| H6 | C8 | C9 | H14 | 34.2° | 88.0° |
| H7 | C8 | C9 | H13 | 34.0° | 159.0° |
| H7 | C8 | C9 | H14 | 155.5° | 35.1° |
| H8 | C10 | C9 | H13 | 29.3° | 160.3° |
| H8 | C10 | C9 | H14 | 150.8° | 36.4° |
| H9 | C10 | C9 | H13 | 92.6° | 38.0° |
| H9 | C10 | C9 | H14 | 28.9° | 85.9° |
| H11 | C2 | C3 | H12 | 0.3° | 0.3° |
