A1CW7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.22Å | 1.23Å | |
| C1 | N1 | sing | 1.36Å | 1.35Å | |
| N1 | C2 | sing | 1.45Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C3 | C4 | sing | 1.54Å | 1.52Å | |
| C4 | C5 | sing | 1.50Å | 1.49Å | |
| C5 | O2 | sing | 1.33Å | 1.37Å | Aromatic |
| O2 | C6 | sing | 1.35Å | 1.37Å | Aromatic |
| C6 | C7 | doub | 1.35Å | 1.33Å | Aromatic |
| C7 | C8 | sing | 1.45Å | 1.44Å | Aromatic |
| C1 | C8 | sing | 1.48Å | 1.49Å | |
| C5 | C8 | doub | 1.37Å | 1.36Å | Aromatic |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N1 | 122.1° | 122.3° |
| O1 | C1 | C8 | 119.1° | 122.4° |
| C1 | N1 | C2 | 132.0° | 119.2° |
| N1 | C1 | C8 | 118.8° | 115.3° |
| C1 | N1 | H1 | 114.0° | 120.4° |
| N1 | C2 | C3 | 115.2° | 113.9° |
| N1 | C2 | H2 | 108.0° | 108.6° |
| N1 | C2 | H3 | 108.0° | 108.6° |
| C2 | N1 | H1 | 114.0° | 120.4° |
| C2 | C3 | C4 | 112.0° | 109.5° |
| C3 | C2 | H2 | 108.0° | 108.6° |
| C3 | C2 | H3 | 108.0° | 108.6° |
| C2 | C3 | H4 | 108.9° | 109.5° |
| C2 | C3 | H5 | 108.8° | 109.5° |
| C3 | C4 | C5 | 113.5° | 109.6° |
| C4 | C3 | H4 | 108.9° | 109.5° |
| C4 | C3 | H5 | 108.8° | 109.5° |
| C3 | C4 | H6 | 108.4° | 109.5° |
| C3 | C4 | H7 | 108.5° | 109.5° |
| C4 | C5 | O2 | 115.6° | 128.9° |
| C4 | C5 | C8 | 135.0° | 123.4° |
| C5 | C4 | H6 | 108.5° | 109.4° |
| C5 | C4 | H7 | 108.5° | 109.5° |
| C5 | O2 | C6 | 106.9° | 110.9° |
| O2 | C5 | C8 | 109.5° | 107.7° |
| O2 | C6 | C7 | 110.6° | 109.2° |
| O2 | C6 | H8 | 124.7° | 125.4° |
| C6 | C7 | C8 | 106.7° | 105.4° |
| C7 | C6 | H8 | 124.7° | 125.4° |
| C6 | C7 | H9 | 126.6° | 127.3° |
| C7 | C8 | C1 | 122.5° | 131.0° |
| C7 | C8 | C5 | 106.3° | 106.9° |
| C8 | C7 | H9 | 126.6° | 127.4° |
| C1 | C8 | C5 | 131.2° | 122.1° |
| H2 | C2 | H3 | 109.4° | 108.4° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N1 | C8 | 177.8° | 179.7° |
| O1 | C1 | N1 | C2 | 177.1° | 165.6° |
| O1 | C1 | C8 | C7 | 9.9° | 43.2° |
| O1 | C1 | C8 | C5 | 168.6° | 136.7° |
| O1 | C1 | N1 | H1 | 2.9° | 14.4° |
| C1 | N1 | C2 | H1 | 180.0° | 180.0° |
| C1 | N1 | C2 | C3 | 51.5° | 86.2° |
| N1 | C1 | C8 | C7 | 172.2° | 136.6° |
| N1 | C1 | C8 | C5 | 9.3° | 43.6° |
| C1 | N1 | C2 | H2 | 172.4° | 152.7° |
| C1 | N1 | C2 | H3 | 69.3° | 35.0° |
| N1 | C2 | C3 | H2 | 120.8° | 121.2° |
| N1 | C2 | C3 | H3 | 120.9° | 121.1° |
| N1 | C2 | C3 | C4 | 81.6° | 44.4° |
| C2 | N1 | C1 | C8 | 5.1° | 14.1° |
| N1 | C2 | H2 | H3 | 117.4° | 117.9° |
| N1 | C2 | C3 | H4 | 38.9° | 164.4° |
| N1 | C2 | C3 | H5 | 158.1° | 75.6° |
| C2 | C3 | C4 | H4 | 120.4° | 120.0° |
| C2 | C3 | C4 | H5 | 120.4° | 120.0° |
| C2 | C3 | C4 | C5 | 59.0° | 42.1° |
| C3 | C2 | H2 | H3 | 117.4° | 117.8° |
| C2 | C3 | H4 | H5 | 118.8° | 120.0° |
| C2 | C3 | C4 | H6 | 179.6° | 162.1° |
| C2 | C3 | C4 | H7 | 61.6° | 78.0° |
| C3 | C2 | N1 | H1 | 128.5° | 93.8° |
| C3 | C4 | C5 | H6 | 120.6° | 120.0° |
| C3 | C4 | C5 | H7 | 120.6° | 120.1° |
| C3 | C4 | C5 | O2 | 161.8° | 109.2° |
| C3 | C4 | C5 | C8 | 18.1° | 70.7° |
| C4 | C3 | C2 | H2 | 157.6° | 165.5° |
| C4 | C3 | C2 | H3 | 39.3° | 76.8° |
| C4 | C3 | H4 | H5 | 118.8° | 120.0° |
| C3 | C4 | H6 | H7 | 118.1° | 120.0° |
| C4 | C5 | O2 | C8 | 179.9° | 179.9° |
| C4 | C5 | O2 | C6 | 179.9° | 178.9° |
| C4 | C5 | C8 | C7 | 179.8° | 179.0° |
| C4 | C5 | C8 | C1 | 1.1° | 1.2° |
| C5 | C4 | C3 | H4 | 61.4° | 77.9° |
| C5 | C4 | C3 | H5 | 179.3° | 162.1° |
| C5 | C4 | H6 | H7 | 118.2° | 119.9° |
| C5 | O2 | C6 | C7 | 0.2° | 0.5° |
| O2 | C5 | C8 | C7 | 0.0° | 0.9° |
| O2 | C5 | C8 | C1 | 178.7° | 179.0° |
| O2 | C5 | C4 | H6 | 41.2° | 10.8° |
| O2 | C5 | C4 | H7 | 77.6° | 130.8° |
| C5 | O2 | C6 | H8 | 179.8° | 179.5° |
| O2 | C6 | C7 | H8 | 180.0° | 180.0° |
| O2 | C6 | C7 | C8 | 0.2° | 0.0° |
| C6 | O2 | C5 | C8 | 0.1° | 0.9° |
| O2 | C6 | C7 | H9 | 179.8° | 179.9° |
| C6 | C7 | C8 | H9 | 180.0° | 180.0° |
| C6 | C7 | C8 | C1 | 179.0° | 179.3° |
| C6 | C7 | C8 | C5 | 0.1° | 0.6° |
| C7 | C8 | C1 | C5 | 178.5° | 179.8° |
| C8 | C7 | C6 | H8 | 179.8° | 179.9° |
| C1 | C8 | C7 | H9 | 1.0° | 0.7° |
| C8 | C1 | N1 | H1 | 174.9° | 165.9° |
| C8 | C5 | C4 | H6 | 138.7° | 169.3° |
| C8 | C5 | C4 | H7 | 102.5° | 49.4° |
| C5 | C8 | C7 | H9 | 179.8° | 179.4° |
| H2 | C2 | C3 | H4 | 82.0° | 74.5° |
| H2 | C2 | C3 | H5 | 37.3° | 45.5° |
| H2 | C2 | N1 | H1 | 7.6° | 27.3° |
| H3 | C2 | C3 | H4 | 159.7° | 43.2° |
| H3 | C2 | C3 | H5 | 81.1° | 163.2° |
| H3 | C2 | N1 | H1 | 110.7° | 145.0° |
| H4 | C3 | C4 | H6 | 59.2° | 42.0° |
| H4 | C3 | C4 | H7 | 178.0° | 162.0° |
| H5 | C3 | C4 | H6 | 60.0° | 77.9° |
| H5 | C3 | C4 | H7 | 58.7° | 42.0° |
| H8 | C6 | C7 | H9 | 0.2° | 0.1° |
