A1IQR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| C11 | C2 | sing | 1.48Å | 1.48Å | |
| C6 | C5 | sing | 1.51Å | 1.48Å | |
| N1 | C2 | sing | 1.38Å | 1.37Å | |
| C2 | N3 | doub | 1.30Å | 1.30Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| N3 | C4 | sing | 1.46Å | 1.47Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C9 | C10 | 119.4° | 120.2° |
| C9 | C8 | C7 | 121.0° | 120.4° |
| C9 | C8 | H2 | 119.5° | 119.8° |
| C8 | C9 | H3 | 120.3° | 119.9° |
| C9 | C10 | C11 | 119.7° | 119.6° |
| C10 | C9 | H3 | 120.3° | 119.9° |
| C9 | C10 | H4 | 120.1° | 120.2° |
| C8 | C7 | C6 | 119.5° | 119.8° |
| C8 | C7 | H1 | 120.3° | 120.1° |
| C7 | C8 | H2 | 119.5° | 119.8° |
| C10 | C11 | C6 | 120.6° | 120.0° |
| C10 | C11 | C2 | 120.4° | 121.4° |
| C11 | C10 | H4 | 120.1° | 120.2° |
| C7 | C6 | C11 | 119.8° | 120.0° |
| C7 | C6 | C5 | 119.6° | 121.2° |
| C6 | C7 | H1 | 120.3° | 120.1° |
| C6 | C11 | C2 | 119.0° | 118.6° |
| C11 | C6 | C5 | 120.6° | 118.8° |
| C11 | C2 | N1 | 116.0° | 120.2° |
| C11 | C2 | N3 | 122.8° | 119.6° |
| C6 | C5 | C4 | 112.2° | 109.6° |
| C6 | C5 | H9 | 108.7° | 109.5° |
| C6 | C5 | H10 | 108.8° | 109.4° |
| N1 | C2 | N3 | 121.0° | 120.3° |
| C2 | N1 | H5 | 120.0° | 120.0° |
| C2 | N1 | H6 | 120.0° | 120.1° |
| C2 | N3 | C4 | 118.5° | 122.0° |
| C5 | C4 | N3 | 116.5° | 111.2° |
| C5 | C4 | H7 | 107.7° | 109.1° |
| C5 | C4 | H8 | 107.7° | 109.1° |
| C4 | C5 | H9 | 108.8° | 109.5° |
| C4 | C5 | H10 | 108.8° | 109.5° |
| N3 | C4 | H7 | 107.7° | 109.1° |
| N3 | C4 | H8 | 107.7° | 109.1° |
| H5 | N1 | H6 | 120.0° | 120.0° |
| H7 | C4 | H8 | 109.5° | 109.1° |
| H9 | C5 | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C9 | C10 | H3 | 180.0° | 180.0° |
| C9 | C8 | C7 | H2 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.0° | 0.1° |
| C9 | C8 | C7 | C6 | 0.2° | 0.0° |
| C9 | C8 | C7 | H1 | 179.8° | 180.0° |
| C8 | C9 | C10 | H4 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 0.0° | 0.0° |
| C9 | C10 | C11 | H4 | 180.0° | 180.0° |
| C9 | C10 | C11 | C6 | 0.2° | 0.1° |
| C9 | C10 | C11 | C2 | 179.5° | 179.9° |
| C10 | C9 | C8 | H2 | 180.0° | 180.0° |
| C8 | C7 | C6 | H1 | 180.0° | 180.0° |
| C8 | C7 | C6 | C11 | 0.4° | 0.1° |
| C8 | C7 | C6 | C5 | 178.9° | 179.9° |
| C7 | C8 | C9 | H3 | 180.0° | 180.0° |
| C10 | C11 | C6 | C7 | 0.4° | 0.1° |
| C10 | C11 | C6 | C2 | 179.7° | 180.0° |
| C10 | C11 | C6 | C5 | 178.9° | 179.9° |
| C10 | C11 | C2 | N1 | 13.2° | 19.0° |
| C10 | C11 | C2 | N3 | 171.3° | 161.3° |
| C11 | C10 | C9 | H3 | 180.0° | 180.0° |
| C7 | C6 | C11 | C5 | 178.5° | 180.0° |
| C7 | C6 | C11 | C2 | 179.3° | 179.9° |
| C7 | C6 | C5 | C4 | 158.4° | 146.5° |
| C6 | C7 | C8 | H2 | 179.8° | 180.0° |
| C7 | C6 | C5 | H9 | 37.9° | 26.4° |
| C7 | C6 | C5 | H10 | 81.2° | 93.5° |
| C6 | C11 | C2 | N1 | 166.5° | 161.1° |
| C6 | C11 | C2 | N3 | 9.0° | 18.6° |
| C11 | C6 | C5 | C4 | 23.2° | 33.5° |
| C11 | C6 | C7 | H1 | 179.6° | 179.9° |
| C6 | C11 | C10 | H4 | 179.8° | 179.9° |
| C11 | C6 | C5 | H9 | 143.6° | 153.6° |
| C11 | C6 | C5 | H10 | 97.3° | 86.5° |
| C2 | C11 | C6 | C5 | 0.8° | 0.1° |
| C11 | C2 | N1 | N3 | 175.6° | 179.7° |
| C11 | C2 | N3 | C4 | 6.5° | 1.3° |
| C2 | C11 | C10 | H4 | 0.5° | 0.0° |
| C11 | C2 | N1 | H5 | 175.6° | 179.7° |
| C11 | C2 | N1 | H6 | 4.4° | 0.4° |
| C6 | C5 | C4 | H9 | 120.4° | 120.1° |
| C6 | C5 | C4 | H10 | 120.4° | 120.0° |
| C6 | C5 | C4 | N3 | 37.6° | 50.2° |
| C5 | C6 | C7 | H1 | 1.1° | 0.1° |
| C6 | C5 | C4 | H7 | 83.4° | 70.2° |
| C6 | C5 | C4 | H8 | 158.6° | 170.6° |
| C6 | C5 | H9 | H10 | 118.7° | 119.9° |
| N1 | C2 | N3 | C4 | 178.2° | 179.0° |
| C2 | N1 | H5 | H6 | 180.0° | 179.9° |
| C2 | N3 | C4 | C5 | 30.4° | 36.5° |
| N3 | C2 | N1 | H5 | 0.0° | 0.0° |
| N3 | C2 | N1 | H6 | 180.0° | 179.9° |
| C2 | N3 | C4 | H7 | 90.5° | 83.9° |
| C2 | N3 | C4 | H8 | 151.5° | 156.9° |
| C5 | C4 | N3 | H7 | 121.0° | 120.5° |
| C5 | C4 | N3 | H8 | 121.0° | 120.4° |
| C5 | C4 | H7 | H8 | 116.8° | 119.1° |
| C4 | C5 | H9 | H10 | 118.8° | 120.0° |
| N3 | C4 | H7 | H8 | 116.8° | 119.2° |
| N3 | C4 | C5 | H9 | 158.0° | 170.3° |
| N3 | C4 | C5 | H10 | 82.8° | 69.8° |
| H1 | C7 | C8 | H2 | 0.2° | 0.0° |
| H2 | C8 | C9 | H3 | 0.0° | 0.0° |
| H3 | C9 | C10 | H4 | 0.0° | 0.0° |
| H7 | C4 | C5 | H9 | 37.0° | 49.8° |
| H7 | C4 | C5 | H10 | 156.2° | 169.7° |
| H8 | C4 | C5 | H9 | 81.0° | 69.3° |
| H8 | C4 | C5 | H10 | 38.2° | 50.6° |
