UX7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | doub | 1.37Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.41Å | Aromatic |
| O | C1 | sing | 1.36Å | 1.41Å | |
| O | C | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.41Å | 1.40Å | Aromatic |
| C1 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C4 | N | sing | 1.35Å | 1.42Å | Aromatic |
| C4 | C10 | doub | 1.40Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| N | C5 | doub | 1.29Å | 1.32Å | Aromatic |
| C10 | S | sing | 1.76Å | 1.71Å | Aromatic |
| C5 | S | sing | 1.76Å | 1.80Å | Aromatic |
| C5 | N1 | sing | 1.39Å | 1.41Å | |
| N1 | C6 | sing | 1.35Å | 1.43Å | |
| C6 | O1 | doub | 1.21Å | 1.21Å | |
| C6 | C7 | sing | 1.51Å | 1.48Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C7 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 119.8° | 120.5° |
| C2 | C3 | C4 | 118.6° | 120.5° |
| C3 | C2 | H9 | 120.1° | 119.7° |
| C2 | C3 | H10 | 120.7° | 119.7° |
| C2 | C1 | O | 115.3° | 120.0° |
| C2 | C1 | C11 | 121.8° | 119.9° |
| C1 | C2 | H9 | 120.1° | 119.8° |
| C1 | O | C | 115.7° | 117.0° |
| O | C1 | C11 | 122.9° | 120.1° |
| O | C | H5 | 109.5° | 109.5° |
| O | C | H6 | 109.5° | 109.5° |
| O | C | H7 | 109.5° | 109.5° |
| C3 | C4 | N | 123.7° | 128.7° |
| C3 | C4 | C10 | 120.7° | 118.4° |
| C4 | C3 | H10 | 120.7° | 119.7° |
| C1 | C11 | C10 | 117.4° | 120.2° |
| C1 | C11 | H8 | 121.3° | 119.9° |
| N | C4 | C10 | 115.5° | 112.9° |
| C4 | N | C5 | 110.0° | 117.9° |
| C4 | C10 | C11 | 121.7° | 120.5° |
| C4 | C10 | S | 110.4° | 108.4° |
| C11 | C10 | S | 127.9° | 131.1° |
| C10 | C11 | H8 | 121.3° | 119.9° |
| N | C5 | S | 114.4° | 110.4° |
| N | C5 | N1 | 126.6° | 124.8° |
| C10 | S | C5 | 89.7° | 90.5° |
| S | C5 | N1 | 119.0° | 124.8° |
| C5 | N1 | C6 | 128.3° | 120.0° |
| C5 | N1 | H1 | 115.9° | 120.0° |
| N1 | C6 | O1 | 125.9° | 120.0° |
| N1 | C6 | C7 | 112.6° | 120.0° |
| C6 | N1 | H1 | 115.8° | 120.0° |
| O1 | C6 | C7 | 121.4° | 120.0° |
| C6 | C7 | C8 | 117.6° | 117.5° |
| C6 | C7 | C9 | 117.1° | 117.5° |
| C6 | C7 | H2 | 117.1° | 115.5° |
| C8 | C7 | C9 | 59.7° | 60.0° |
| C7 | C8 | C9 | 60.2° | 60.0° |
| C8 | C7 | H2 | 116.5° | 117.5° |
| C7 | C8 | H3 | 120.0° | 117.5° |
| C7 | C8 | H4 | 120.0° | 117.5° |
| C7 | C9 | C8 | 60.1° | 60.0° |
| C9 | C7 | H2 | 116.4° | 117.5° |
| C7 | C9 | H11 | 120.0° | 117.5° |
| C7 | C9 | H12 | 120.0° | 117.4° |
| C9 | C8 | H3 | 120.0° | 117.5° |
| C9 | C8 | H4 | 120.0° | 117.5° |
| C8 | C9 | H11 | 120.0° | 117.5° |
| C8 | C9 | H12 | 120.0° | 117.5° |
| H3 | C8 | H4 | 109.5° | 115.6° |
| H5 | C | H6 | 109.4° | 109.4° |
| H5 | C | H7 | 109.4° | 109.5° |
| H6 | C | H7 | 109.5° | 109.4° |
| H11 | C9 | H12 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H9 | 180.0° | 179.9° |
| C3 | C2 | C1 | O | 177.7° | 179.9° |
| C2 | C3 | C4 | H10 | 180.0° | 179.9° |
| C3 | C2 | C1 | C11 | 0.8° | 0.2° |
| C2 | C3 | C4 | N | 178.1° | 180.0° |
| C2 | C3 | C4 | C10 | 0.2° | 0.4° |
| C2 | C1 | O | C11 | 178.4° | 179.8° |
| C2 | C1 | O | C | 155.7° | 0.3° |
| C1 | C2 | C3 | C4 | 1.0° | 0.1° |
| C2 | C1 | C11 | C10 | 0.1° | 0.2° |
| C2 | C1 | C11 | H8 | 179.9° | 179.7° |
| C1 | C2 | C3 | H10 | 179.1° | 180.0° |
| O | C1 | C11 | C10 | 178.4° | 179.9° |
| C1 | O | C | H5 | 180.0° | 180.0° |
| C1 | O | C | H6 | 60.0° | 60.0° |
| C1 | O | C | H7 | 60.0° | 60.0° |
| O | C1 | C11 | H8 | 1.6° | 0.1° |
| O | C1 | C2 | H9 | 2.3° | 0.0° |
| C | O | C1 | C11 | 25.9° | 180.0° |
| O | C | H5 | H6 | 120.0° | 120.0° |
| O | C | H5 | H7 | 120.0° | 120.1° |
| O | C | H6 | H7 | 120.0° | 120.0° |
| C3 | C4 | N | C10 | 178.4° | 179.7° |
| C3 | C4 | C10 | C11 | 0.7° | 0.3° |
| C3 | C4 | N | C5 | 177.5° | 179.7° |
| C3 | C4 | C10 | S | 178.0° | 179.7° |
| C4 | C3 | C2 | H9 | 179.0° | 180.0° |
| C1 | C11 | C10 | C4 | 0.8° | 0.1° |
| C1 | C11 | C10 | H8 | 180.0° | 179.9° |
| C1 | C11 | C10 | S | 177.6° | 180.0° |
| C11 | C1 | C2 | H9 | 179.2° | 179.7° |
| N | C4 | C10 | C11 | 179.1° | 179.9° |
| N | C4 | C10 | S | 0.4° | 0.0° |
| C4 | N | C5 | S | 0.9° | 0.0° |
| C4 | N | C5 | N1 | 177.4° | 180.0° |
| N | C4 | C3 | H10 | 1.9° | 0.1° |
| C4 | C10 | C11 | S | 178.5° | 179.9° |
| C10 | C4 | N | C5 | 0.9° | 0.0° |
| C4 | C10 | S | C5 | 0.1° | 0.0° |
| C4 | C10 | C11 | H8 | 179.2° | 179.9° |
| C10 | C4 | C3 | H10 | 179.8° | 179.8° |
| C11 | C10 | S | C5 | 178.5° | 179.9° |
| N | C5 | S | C10 | 0.6° | 0.0° |
| N | C5 | S | N1 | 178.4° | 180.0° |
| N | C5 | N1 | C6 | 178.8° | 0.0° |
| N | C5 | N1 | H1 | 1.3° | 179.7° |
| C10 | S | C5 | N1 | 177.8° | 180.0° |
| S | C10 | C11 | H8 | 2.4° | 0.1° |
| S | C5 | N1 | C6 | 3.0° | 180.0° |
| S | C5 | N1 | H1 | 177.0° | 0.3° |
| C5 | N1 | C6 | H1 | 180.0° | 179.8° |
| C5 | N1 | C6 | O1 | 1.7° | 0.2° |
| C5 | N1 | C6 | C7 | 179.5° | 179.7° |
| N1 | C6 | O1 | C7 | 178.7° | 179.9° |
| N1 | C6 | C7 | C8 | 147.9° | 180.0° |
| N1 | C6 | C7 | C9 | 144.0° | 111.4° |
| N1 | C6 | C7 | H2 | 1.5° | 34.2° |
| O1 | C6 | C7 | C8 | 31.0° | 0.0° |
| O1 | C6 | C7 | C9 | 37.2° | 68.7° |
| O1 | C6 | N1 | H1 | 178.3° | 180.0° |
| O1 | C6 | C7 | H2 | 177.4° | 145.7° |
| C6 | C7 | C8 | C9 | 106.9° | 107.5° |
| C6 | C7 | C8 | H2 | 146.6° | 145.0° |
| C6 | C7 | C9 | H2 | 145.7° | 144.9° |
| C7 | C6 | N1 | H1 | 0.5° | 0.1° |
| C6 | C7 | C8 | H3 | 2.7° | 0.0° |
| C6 | C7 | C8 | H4 | 143.6° | 145.1° |
| C6 | C7 | C9 | H11 | 142.8° | 145.0° |
| C6 | C7 | C9 | H12 | 1.8° | 0.0° |
| C8 | C7 | C9 | H2 | 106.6° | 107.5° |
| C7 | C8 | C9 | H3 | 109.5° | 107.5° |
| C7 | C8 | C9 | H4 | 109.6° | 107.5° |
| C7 | C8 | H3 | H4 | 144.6° | 145.7° |
| C8 | C7 | C9 | H11 | 109.5° | 107.5° |
| C8 | C7 | C9 | H12 | 109.5° | 107.5° |
| C7 | C9 | H11 | H12 | 144.7° | 145.7° |
| C9 | C8 | H3 | H4 | 144.6° | 145.6° |
| C8 | C9 | H11 | H12 | 144.7° | 145.8° |
| H2 | C7 | C8 | H3 | 143.9° | 145.0° |
| H2 | C7 | C8 | H4 | 3.0° | 0.0° |
| H2 | C7 | C9 | H11 | 2.9° | 0.1° |
| H2 | C7 | C9 | H12 | 143.9° | 145.0° |
| H3 | C8 | C9 | H11 | 141.0° | 145.0° |
| H3 | C8 | C9 | H12 | 0.0° | 0.1° |
| H4 | C8 | C9 | H11 | 0.1° | 0.0° |
| H4 | C8 | C9 | H12 | 140.9° | 145.1° |
| H5 | C | H6 | H7 | 119.9° | 120.0° |
| H9 | C2 | C3 | H10 | 0.9° | 0.1° |
