A1IW8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | N1 | sing | 1.40Å | 1.36Å | |
| O2 | C11 | doub | 1.21Å | 1.21Å | |
| C11 | N2 | sing | 1.34Å | 1.38Å | |
| C11 | C4 | sing | 1.51Å | 1.52Å | |
| N2 | C1 | sing | 1.34Å | 1.37Å | |
| C4 | N1 | sing | 1.46Å | 1.45Å | |
| C4 | C3 | sing | 1.53Å | 1.50Å | |
| O1 | C1 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C6 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | C6 | 120.7° | 120.1° |
| C7 | C8 | C9 | 119.8° | 120.1° |
| C8 | C7 | H4 | 119.6° | 119.9° |
| C7 | C8 | H11 | 120.0° | 120.0° |
| C7 | C6 | C5 | 119.5° | 119.9° |
| C6 | C7 | H4 | 119.6° | 120.0° |
| C7 | C6 | H12 | 120.3° | 120.1° |
| C8 | C9 | C10 | 120.6° | 120.1° |
| C8 | C9 | H5 | 119.7° | 119.9° |
| C9 | C8 | H11 | 120.1° | 119.9° |
| C6 | C5 | C10 | 119.4° | 119.9° |
| C6 | C5 | N1 | 120.8° | 120.0° |
| C5 | C6 | H12 | 120.3° | 120.1° |
| C9 | C10 | C5 | 120.0° | 119.9° |
| C10 | C9 | H5 | 119.7° | 120.0° |
| C9 | C10 | H6 | 120.0° | 120.0° |
| C10 | C5 | N1 | 119.8° | 120.1° |
| C5 | C10 | H6 | 120.0° | 120.1° |
| C5 | N1 | C4 | 120.6° | 120.0° |
| C5 | N1 | H10 | 106.6° | 120.0° |
| O2 | C11 | N2 | 121.0° | 119.4° |
| O2 | C11 | C4 | 122.5° | 119.4° |
| N2 | C11 | C4 | 116.1° | 121.3° |
| C11 | N2 | C1 | 126.4° | 122.6° |
| C11 | N2 | H7 | 116.8° | 118.7° |
| C11 | C4 | N1 | 112.0° | 109.5° |
| C11 | C4 | C3 | 112.3° | 109.2° |
| C11 | C4 | H3 | 106.1° | 109.6° |
| N2 | C1 | O1 | 120.2° | 119.4° |
| N2 | C1 | C2 | 117.1° | 121.3° |
| C1 | N2 | H7 | 116.8° | 118.7° |
| N1 | C4 | C3 | 112.8° | 109.5° |
| N1 | C4 | H3 | 106.9° | 109.5° |
| C4 | N1 | H10 | 106.6° | 120.0° |
| C4 | C3 | C2 | 110.0° | 108.5° |
| C3 | C4 | H3 | 106.2° | 109.5° |
| C4 | C3 | H8 | 109.3° | 109.6° |
| C4 | C3 | H9 | 109.3° | 109.6° |
| O1 | C1 | C2 | 122.7° | 119.4° |
| C1 | C2 | C3 | 117.2° | 109.2° |
| C1 | C2 | H1 | 107.5° | 109.5° |
| C1 | C2 | H2 | 107.5° | 109.5° |
| C3 | C2 | H1 | 107.5° | 109.5° |
| C3 | C2 | H2 | 107.5° | 109.5° |
| C2 | C3 | H8 | 109.3° | 109.7° |
| C2 | C3 | H9 | 109.3° | 109.6° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H8 | C3 | H9 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | C6 | H4 | 180.0° | 179.7° |
| C7 | C8 | C9 | H11 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 0.9° | 0.0° |
| C7 | C8 | C9 | C10 | 1.8° | 0.0° |
| C7 | C8 | C9 | H5 | 178.2° | 180.0° |
| C8 | C7 | C6 | H12 | 179.1° | 180.0° |
| C6 | C7 | C8 | C9 | 1.9° | 0.0° |
| C7 | C6 | C5 | H12 | 180.0° | 180.0° |
| C7 | C6 | C5 | C10 | 0.2° | 0.0° |
| C7 | C6 | C5 | N1 | 178.7° | 180.0° |
| C6 | C7 | C8 | H11 | 178.1° | 180.0° |
| C8 | C9 | C10 | H5 | 180.0° | 180.0° |
| C8 | C9 | C10 | C5 | 0.6° | 0.0° |
| C9 | C8 | C7 | H4 | 178.1° | 179.7° |
| C8 | C9 | C10 | H6 | 179.4° | 180.0° |
| C6 | C5 | C10 | C9 | 0.4° | 0.0° |
| C6 | C5 | C10 | N1 | 178.5° | 180.0° |
| C6 | C5 | N1 | C4 | 10.3° | 0.0° |
| C5 | C6 | C7 | H4 | 179.1° | 179.7° |
| C6 | C5 | C10 | H6 | 179.7° | 180.0° |
| C6 | C5 | N1 | H10 | 111.3° | 180.0° |
| C9 | C10 | C5 | H6 | 180.0° | 180.0° |
| C9 | C10 | C5 | N1 | 178.9° | 180.0° |
| C10 | C9 | C8 | H11 | 178.2° | 180.0° |
| C10 | C5 | N1 | C4 | 168.2° | 180.0° |
| C5 | C10 | C9 | H5 | 179.3° | 180.0° |
| C10 | C5 | N1 | H10 | 70.2° | 0.0° |
| C10 | C5 | C6 | H12 | 179.8° | 179.9° |
| C5 | N1 | C4 | C11 | 96.5° | 85.3° |
| C5 | N1 | C4 | H10 | 121.6° | 180.0° |
| C5 | N1 | C4 | C3 | 135.7° | 155.0° |
| C5 | N1 | C4 | H3 | 19.2° | 34.9° |
| N1 | C5 | C10 | H6 | 1.1° | 0.0° |
| N1 | C5 | C6 | H12 | 1.3° | 0.0° |
| O2 | C11 | N2 | C4 | 173.1° | 179.9° |
| O2 | C11 | N2 | C1 | 178.6° | 179.5° |
| O2 | C11 | C4 | N1 | 20.9° | 89.2° |
| O2 | C11 | C4 | C3 | 149.0° | 150.9° |
| O2 | C11 | C4 | H3 | 95.3° | 30.9° |
| O2 | C11 | N2 | H7 | 1.4° | 0.6° |
| C11 | N2 | C1 | H7 | 180.0° | 179.9° |
| N2 | C11 | C4 | N1 | 166.1° | 90.9° |
| N2 | C11 | C4 | C3 | 37.9° | 29.0° |
| C11 | N2 | C1 | O1 | 168.8° | 179.8° |
| C11 | N2 | C1 | C2 | 10.0° | 0.4° |
| N2 | C11 | C4 | H3 | 77.7° | 148.9° |
| C4 | C11 | N2 | C1 | 5.4° | 0.4° |
| C11 | C4 | N1 | C3 | 127.8° | 119.7° |
| C11 | C4 | N1 | H3 | 115.8° | 120.2° |
| C11 | C4 | C3 | H3 | 115.5° | 120.0° |
| C11 | C4 | C3 | C2 | 52.5° | 55.6° |
| C4 | C11 | N2 | H7 | 174.6° | 179.5° |
| C11 | C4 | C3 | H8 | 67.6° | 64.1° |
| C11 | C4 | C3 | H9 | 172.6° | 175.3° |
| C11 | C4 | N1 | H10 | 25.1° | 94.7° |
| N2 | C1 | O1 | C2 | 178.7° | 179.8° |
| N2 | C1 | C2 | C3 | 7.9° | 29.1° |
| N2 | C1 | C2 | H1 | 113.2° | 149.0° |
| N2 | C1 | C2 | H2 | 129.0° | 90.9° |
| N1 | C4 | C3 | H3 | 116.8° | 120.1° |
| N1 | C4 | C3 | C2 | 179.8° | 64.3° |
| N1 | C4 | C3 | H8 | 60.1° | 176.0° |
| N1 | C4 | C3 | H9 | 59.8° | 55.4° |
| C4 | C3 | C2 | C1 | 38.5° | 55.6° |
| C4 | C3 | C2 | H8 | 120.1° | 119.7° |
| C4 | C3 | C2 | H9 | 120.1° | 119.6° |
| C4 | C3 | C2 | H1 | 82.6° | 175.6° |
| C4 | C3 | C2 | H2 | 159.6° | 64.3° |
| C4 | C3 | H8 | H9 | 119.7° | 120.4° |
| C3 | C4 | N1 | H10 | 102.8° | 25.0° |
| O1 | C1 | C2 | C3 | 173.4° | 151.1° |
| O1 | C1 | C2 | H1 | 65.5° | 31.2° |
| O1 | C1 | C2 | H2 | 52.2° | 88.9° |
| O1 | C1 | N2 | H7 | 11.2° | 0.3° |
| C1 | C2 | C3 | H1 | 121.1° | 119.9° |
| C1 | C2 | C3 | H2 | 121.1° | 119.9° |
| C1 | C2 | H1 | H2 | 116.5° | 120.2° |
| C2 | C1 | N2 | H7 | 170.0° | 179.5° |
| C1 | C2 | C3 | H8 | 81.6° | 64.1° |
| C1 | C2 | C3 | H9 | 158.6° | 175.3° |
| C3 | C2 | H1 | H2 | 116.5° | 120.1° |
| C2 | C3 | C4 | H3 | 63.1° | 175.6° |
| C2 | C3 | H8 | H9 | 119.7° | 120.5° |
| H1 | C2 | C3 | H8 | 157.3° | 55.9° |
| H1 | C2 | C3 | H9 | 37.5° | 64.8° |
| H2 | C2 | C3 | H8 | 39.5° | 176.0° |
| H2 | C2 | C3 | H9 | 80.3° | 55.3° |
| H3 | C4 | C3 | H8 | 176.8° | 55.9° |
| H3 | C4 | C3 | H9 | 57.0° | 64.7° |
| H3 | C4 | N1 | H10 | 140.8° | 145.1° |
| H4 | C7 | C8 | H11 | 1.9° | 0.3° |
| H4 | C7 | C6 | H12 | 0.9° | 0.2° |
| H5 | C9 | C10 | H6 | 0.7° | 0.0° |
| H5 | C9 | C8 | H11 | 1.8° | 0.0° |
