UW7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | N1 | doub | 1.29Å | 1.29Å | Aromatic |
| N2 | C1 | sing | 1.33Å | 1.38Å | Aromatic |
| N1 | N | sing | 1.29Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.48Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C1 | C6 | doub | 1.36Å | 1.39Å | Aromatic |
| N | C6 | sing | 1.34Å | 1.39Å | Aromatic |
| N | C | sing | 1.46Å | 1.47Å | |
| C6 | C5 | sing | 1.50Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C7 | sing | 1.51Å | 1.50Å | |
| O1 | C7 | doub | 1.21Å | 1.34Å | |
| C7 | O | sing | 1.34Å | 1.20Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| O | H7 | sing | 0.97Å | 0.95Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | N2 | C1 | 110.4° | 108.6° |
| N2 | N1 | N | 107.9° | 110.3° |
| N2 | C1 | C2 | 128.3° | 129.2° |
| N2 | C1 | C6 | 107.9° | 106.7° |
| N1 | N | C6 | 109.9° | 108.0° |
| N1 | N | C | 124.4° | 126.0° |
| C1 | C2 | C3 | 111.4° | 108.3° |
| C2 | C1 | C6 | 123.7° | 124.2° |
| C1 | C2 | H8 | 109.0° | 109.7° |
| C1 | C2 | H9 | 109.0° | 109.7° |
| C2 | C3 | C4 | 114.0° | 109.6° |
| C3 | C2 | H8 | 109.0° | 109.7° |
| C3 | C2 | H9 | 109.0° | 109.7° |
| C2 | C3 | H10 | 108.3° | 109.5° |
| C2 | C3 | H11 | 108.4° | 109.5° |
| C1 | C6 | N | 103.8° | 106.4° |
| C1 | C6 | C5 | 126.3° | 124.3° |
| C6 | N | C | 125.7° | 126.0° |
| N | C6 | C5 | 129.9° | 129.3° |
| N | C | H4 | 109.5° | 109.5° |
| N | C | H5 | 109.5° | 109.5° |
| N | C | H6 | 109.5° | 109.5° |
| C6 | C5 | C4 | 105.2° | 108.3° |
| C6 | C5 | H2 | 110.6° | 109.7° |
| C6 | C5 | H3 | 110.5° | 109.7° |
| C3 | C4 | C5 | 111.9° | 109.5° |
| C3 | C4 | C7 | 113.6° | 109.4° |
| C3 | C4 | H1 | 108.0° | 109.5° |
| C4 | C3 | H10 | 108.3° | 109.4° |
| C4 | C3 | H11 | 108.3° | 109.4° |
| C5 | C4 | C7 | 106.4° | 109.5° |
| C5 | C4 | H1 | 108.1° | 109.5° |
| C4 | C5 | H2 | 110.5° | 109.7° |
| C4 | C5 | H3 | 110.5° | 109.7° |
| C4 | C7 | O1 | 112.9° | 120.0° |
| C4 | C7 | O | 127.8° | 120.0° |
| C7 | C4 | H1 | 108.6° | 109.4° |
| O1 | C7 | O | 119.3° | 120.0° |
| C7 | O | H7 | 109.5° | 117.0° |
| H2 | C5 | H3 | 109.5° | 109.7° |
| H4 | C | H5 | 109.5° | 109.5° |
| H4 | C | H6 | 109.4° | 109.5° |
| H5 | C | H6 | 109.5° | 109.4° |
| H8 | C2 | H9 | 109.5° | 109.7° |
| H10 | C3 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | N2 | C1 | C2 | 177.7° | 179.9° |
| N1 | N2 | C1 | C6 | 0.2° | 0.1° |
| N2 | N1 | N | C6 | 1.5° | 0.1° |
| N2 | N1 | N | C | 178.2° | 180.0° |
| C1 | N2 | N1 | N | 0.8° | 0.0° |
| N2 | C1 | C2 | C6 | 177.5° | 179.9° |
| N2 | C1 | C2 | C3 | 179.6° | 163.4° |
| N2 | C1 | C6 | N | 1.0° | 0.1° |
| N2 | C1 | C6 | C5 | 179.4° | 179.9° |
| N2 | C1 | C2 | H8 | 59.3° | 43.7° |
| N2 | C1 | C2 | H9 | 60.1° | 76.9° |
| N1 | N | C6 | C1 | 1.5° | 0.1° |
| N1 | N | C6 | C | 179.7° | 179.9° |
| N1 | N | C6 | C5 | 178.9° | 179.9° |
| N1 | N | C | H4 | 0.0° | 90.1° |
| N1 | N | C | H5 | 120.0° | 149.9° |
| N1 | N | C | H6 | 120.0° | 29.9° |
| C1 | C2 | C3 | H8 | 120.3° | 119.7° |
| C1 | C2 | C3 | H9 | 120.3° | 119.7° |
| C2 | C1 | C6 | N | 176.9° | 179.8° |
| C2 | C1 | C6 | C5 | 2.6° | 0.2° |
| C1 | C2 | C3 | C4 | 30.4° | 49.8° |
| C1 | C2 | H8 | H9 | 119.1° | 120.6° |
| C1 | C2 | C3 | H10 | 90.3° | 169.8° |
| C1 | C2 | C3 | H11 | 151.0° | 70.2° |
| C3 | C2 | C1 | C6 | 2.8° | 16.5° |
| C2 | C3 | C4 | H10 | 120.7° | 120.0° |
| C2 | C3 | C4 | H11 | 120.7° | 120.0° |
| C2 | C3 | C4 | C5 | 59.4° | 70.1° |
| C2 | C3 | C4 | C7 | 180.0° | 169.9° |
| C2 | C3 | C4 | H1 | 59.5° | 50.0° |
| C3 | C2 | H8 | H9 | 119.1° | 120.5° |
| C2 | C3 | H10 | H11 | 118.0° | 120.0° |
| C1 | C6 | N | C5 | 179.5° | 180.0° |
| C1 | C6 | N | C | 178.2° | 179.9° |
| C1 | C6 | C5 | C4 | 28.1° | 16.5° |
| C1 | C6 | C5 | H2 | 147.4° | 103.2° |
| C1 | C6 | C5 | H3 | 91.2° | 136.2° |
| C6 | C1 | C2 | H8 | 123.1° | 136.2° |
| C6 | C1 | C2 | H9 | 117.5° | 103.2° |
| N | C6 | C5 | C4 | 151.3° | 163.5° |
| N | C6 | C5 | H2 | 32.0° | 76.8° |
| N | C6 | C5 | H3 | 89.4° | 43.8° |
| C6 | N | C | H4 | 179.7° | 90.0° |
| C6 | N | C | H5 | 60.3° | 30.0° |
| C6 | N | C | H6 | 59.7° | 150.0° |
| C | N | C6 | C5 | 1.3° | 0.0° |
| N | C | H4 | H5 | 120.0° | 120.0° |
| N | C | H4 | H6 | 120.0° | 120.0° |
| N | C | H5 | H6 | 120.0° | 120.0° |
| C6 | C5 | C4 | C3 | 53.9° | 49.8° |
| C6 | C5 | C4 | H2 | 119.3° | 119.8° |
| C6 | C5 | C4 | H3 | 119.3° | 119.7° |
| C6 | C5 | C4 | C7 | 178.6° | 169.8° |
| C6 | C5 | C4 | H1 | 65.0° | 70.3° |
| C6 | C5 | H2 | H3 | 122.0° | 120.6° |
| C3 | C4 | C5 | C7 | 124.7° | 120.0° |
| C3 | C4 | C5 | H1 | 118.8° | 120.0° |
| C3 | C4 | C7 | H1 | 120.1° | 119.9° |
| C3 | C4 | C7 | O1 | 45.7° | 120.0° |
| C3 | C4 | C7 | O | 135.3° | 59.9° |
| C3 | C4 | C5 | H2 | 173.2° | 70.0° |
| C3 | C4 | C5 | H3 | 65.5° | 169.5° |
| C4 | C3 | C2 | H8 | 150.7° | 169.5° |
| C4 | C3 | C2 | H9 | 89.9° | 69.9° |
| C4 | C3 | H10 | H11 | 117.9° | 119.9° |
| C5 | C4 | C7 | H1 | 116.2° | 120.0° |
| C5 | C4 | C7 | O1 | 77.9° | 0.0° |
| C5 | C4 | C7 | O | 101.1° | 180.0° |
| C4 | C5 | H2 | H3 | 121.9° | 120.5° |
| C5 | C4 | C3 | H10 | 61.2° | 169.9° |
| C5 | C4 | C3 | H11 | 179.9° | 50.0° |
| C4 | C7 | O1 | O | 179.1° | 179.9° |
| C7 | C4 | C5 | H2 | 62.1° | 50.0° |
| C7 | C4 | C5 | H3 | 59.2° | 70.5° |
| C4 | C7 | O | H7 | 179.0° | 180.0° |
| C7 | C4 | C3 | H10 | 59.4° | 49.9° |
| C7 | C4 | C3 | H11 | 59.3° | 70.1° |
| O1 | C7 | C4 | H1 | 165.9° | 120.0° |
| O1 | C7 | O | H7 | 0.0° | 0.1° |
| O | C7 | C4 | H1 | 15.1° | 60.0° |
| H1 | C4 | C5 | H2 | 54.4° | 170.0° |
| H1 | C4 | C5 | H3 | 175.7° | 49.5° |
| H1 | C4 | C3 | H10 | 179.8° | 70.0° |
| H1 | C4 | C3 | H11 | 61.2° | 170.0° |
| H4 | C | H5 | H6 | 120.0° | 120.0° |
| H8 | C2 | C3 | H10 | 30.0° | 70.5° |
| H8 | C2 | C3 | H11 | 88.7° | 49.5° |
| H9 | C2 | C3 | H10 | 149.4° | 50.1° |
| H9 | C2 | C3 | H11 | 30.7° | 170.1° |
