AZN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C4 | doub | 1.41Å | 1.50Å | Aromatic |
| C2 | C5 | sing | 1.39Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.47Å | 1.46Å | |
| C3 | C1 | sing | 1.48Å | 1.53Å | |
| C3 | C6 | doub | 1.41Å | 1.38Å | Aromatic |
| C3 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C8 | sing | 1.48Å | 1.47Å | |
| C4 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C10 | doub | 1.40Å | 1.42Å | Aromatic |
| C5 | O1 | sing | 1.36Å | 1.34Å | |
| C8 | C6 | sing | 1.48Å | 1.44Å | |
| C8 | O2 | doub | 1.22Å | 1.22Å | |
| C9 | C13 | doub | 1.38Å | 1.32Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.06Å | |
| C10 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | O3 | sing | 1.36Å | 1.35Å | |
| C11 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.06Å | |
| C12 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.06Å | |
| C14 | H14 | sing | 1.08Å | 1.06Å | |
| C13 | S1 | sing | 1.76Å | 1.84Å | |
| C1 | O | doub | 1.22Å | 1.22Å | |
| C7 | H7 | sing | 1.08Å | 1.06Å | |
| O6 | S1 | sing | 1.52Å | 1.43Å | |
| O6 | H6 | sing | 0.97Å | 0.95Å | |
| O4 | S1 | doub | 1.42Å | 1.43Å | |
| O3 | H3 | sing | 0.97Å | 0.96Å | |
| O1 | H1 | sing | 0.97Å | 0.96Å | |
| O5 | S1 | doub | 1.42Å | 1.42Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C2 | C5 | 118.5° | 119.7° |
| C4 | C2 | C1 | 115.7° | 119.7° |
| C2 | C4 | C8 | 122.3° | 119.6° |
| C2 | C4 | C9 | 121.8° | 119.8° |
| C5 | C2 | C1 | 125.8° | 120.5° |
| C2 | C5 | C10 | 118.1° | 119.5° |
| C2 | C5 | O1 | 120.5° | 120.3° |
| C2 | C1 | C3 | 119.3° | 119.1° |
| C2 | C1 | O | 120.0° | 120.5° |
| C1 | C3 | C6 | 122.9° | 119.7° |
| C1 | C3 | C7 | 117.8° | 120.6° |
| C3 | C1 | O | 120.7° | 120.4° |
| C6 | C3 | C7 | 119.3° | 119.8° |
| C3 | C6 | C8 | 119.4° | 119.7° |
| C3 | C6 | C11 | 120.1° | 119.7° |
| C3 | C7 | C12 | 120.4° | 119.9° |
| C3 | C7 | H7 | 119.8° | 120.1° |
| C8 | C4 | C9 | 115.9° | 120.5° |
| C4 | C8 | C6 | 120.3° | 119.2° |
| C4 | C8 | O2 | 119.9° | 120.4° |
| C4 | C9 | C13 | 116.8° | 120.1° |
| C4 | C9 | H9 | 121.6° | 120.0° |
| C10 | C5 | O1 | 121.4° | 120.2° |
| C5 | C10 | C13 | 120.2° | 120.3° |
| C5 | C10 | O3 | 119.6° | 119.9° |
| C5 | O1 | H1 | 120.0° | 106.8° |
| C6 | C8 | O2 | 119.8° | 120.4° |
| C8 | C6 | C11 | 120.5° | 120.6° |
| C13 | C9 | H9 | 121.6° | 119.9° |
| C9 | C13 | C10 | 124.6° | 120.5° |
| C9 | C13 | S1 | 118.5° | 119.8° |
| C13 | C10 | O3 | 120.2° | 119.8° |
| C10 | C13 | S1 | 115.3° | 119.7° |
| C10 | O3 | H3 | 120.0° | 106.8° |
| C14 | C11 | C6 | 120.1° | 119.8° |
| C14 | C11 | H11 | 120.0° | 120.2° |
| C11 | C14 | C12 | 120.0° | 120.5° |
| C11 | C14 | H14 | 120.0° | 119.7° |
| C6 | C11 | H11 | 120.0° | 120.1° |
| C14 | C12 | C7 | 120.1° | 120.4° |
| C14 | C12 | H12 | 120.0° | 119.7° |
| C12 | C14 | H14 | 120.0° | 119.8° |
| C7 | C12 | H12 | 119.9° | 119.9° |
| C12 | C7 | H7 | 119.8° | 120.0° |
| C13 | S1 | O6 | 105.7° | 107.4° |
| C13 | S1 | O4 | 112.4° | 105.8° |
| C13 | S1 | O5 | 115.1° | 105.8° |
| S1 | O6 | H6 | 105.7° | 106.8° |
| O6 | S1 | O4 | 106.6° | 105.7° |
| O6 | S1 | O5 | 104.5° | 105.8° |
| O4 | S1 | O5 | 111.7° | 125.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C2 | C5 | C1 | 179.6° | 179.2° |
| C4 | C2 | C1 | C3 | 0.9° | 14.3° |
| C2 | C4 | C8 | C9 | 179.5° | 179.6° |
| C4 | C2 | C5 | C10 | 0.2° | 0.4° |
| C4 | C2 | C5 | O1 | 179.4° | 179.7° |
| C2 | C4 | C8 | C6 | 0.8° | 13.4° |
| C2 | C4 | C8 | O2 | 179.8° | 166.7° |
| C2 | C4 | C9 | C13 | 1.5° | 0.3° |
| C2 | C4 | C9 | H9 | 178.5° | 179.8° |
| C4 | C2 | C1 | O | 179.6° | 166.0° |
| C5 | C2 | C1 | C3 | 178.6° | 166.6° |
| C5 | C2 | C4 | C8 | 179.5° | 179.8° |
| C5 | C2 | C4 | C9 | 0.0° | 0.5° |
| C2 | C5 | C10 | O1 | 179.1° | 179.9° |
| C2 | C5 | C10 | C13 | 1.0° | 0.1° |
| C2 | C5 | C10 | O3 | 179.8° | 179.8° |
| C5 | C2 | C1 | O | 0.8° | 13.2° |
| C2 | C5 | O1 | H1 | 0.0° | 90.2° |
| C2 | C1 | C3 | O | 179.4° | 179.8° |
| C2 | C1 | C3 | C6 | 0.9° | 13.8° |
| C2 | C1 | C3 | C7 | 179.0° | 166.0° |
| C1 | C2 | C4 | C8 | 0.1° | 0.7° |
| C1 | C2 | C4 | C9 | 179.6° | 179.7° |
| C1 | C2 | C5 | C10 | 179.3° | 179.6° |
| C1 | C2 | C5 | O1 | 0.2° | 0.5° |
| C1 | C3 | C6 | C7 | 179.9° | 179.8° |
| C1 | C3 | C6 | C8 | 0.0° | 0.2° |
| C1 | C3 | C6 | C11 | 179.8° | 179.9° |
| C1 | C3 | C7 | C12 | 179.5° | 179.8° |
| C1 | C3 | C7 | H7 | 0.5° | 0.2° |
| C3 | C6 | C8 | C4 | 0.8° | 13.8° |
| C3 | C6 | C8 | C11 | 179.8° | 179.9° |
| C3 | C6 | C8 | O2 | 179.8° | 166.2° |
| C3 | C6 | C11 | C14 | 0.3° | 0.1° |
| C3 | C6 | C11 | H11 | 179.7° | 180.0° |
| C6 | C3 | C7 | C12 | 0.5° | 0.0° |
| C6 | C3 | C1 | O | 179.6° | 166.4° |
| C6 | C3 | C7 | H7 | 179.5° | 180.0° |
| C7 | C3 | C6 | C8 | 179.9° | 179.9° |
| C7 | C3 | C6 | C11 | 0.1° | 0.1° |
| C3 | C7 | C12 | C14 | 0.3° | 0.0° |
| C3 | C7 | C12 | H7 | 180.0° | 180.0° |
| C3 | C7 | C12 | H12 | 179.7° | 179.9° |
| C7 | C3 | C1 | O | 0.5° | 13.7° |
| C4 | C8 | C6 | O2 | 179.4° | 180.0° |
| C8 | C4 | C9 | C13 | 178.0° | 179.9° |
| C8 | C4 | C9 | H9 | 2.0° | 0.1° |
| C4 | C8 | C6 | C11 | 178.9° | 166.3° |
| C9 | C4 | C8 | C6 | 178.7° | 166.3° |
| C9 | C4 | C8 | O2 | 0.7° | 13.7° |
| C4 | C9 | C13 | H9 | 180.0° | 179.9° |
| C4 | C9 | C13 | C10 | 2.9° | 0.0° |
| C4 | C9 | C13 | S1 | 167.8° | 179.9° |
| C5 | C10 | C13 | C9 | 2.7° | 0.1° |
| C5 | C10 | C13 | O3 | 178.8° | 179.9° |
| C5 | C10 | C13 | S1 | 168.1° | 180.0° |
| C5 | C10 | O3 | H3 | 0.0° | 89.9° |
| C10 | C5 | O1 | H1 | 179.1° | 90.0° |
| O1 | C5 | C10 | C13 | 178.2° | 180.0° |
| O1 | C5 | C10 | O3 | 0.6° | 0.1° |
| C8 | C6 | C11 | C14 | 179.4° | 180.0° |
| C8 | C6 | C11 | H11 | 0.5° | 0.1° |
| O2 | C8 | C6 | C11 | 0.5° | 13.7° |
| C9 | C13 | C10 | S1 | 165.4° | 179.9° |
| C9 | C13 | C10 | O3 | 178.5° | 180.0° |
| C9 | C13 | S1 | O6 | 172.6° | 90.0° |
| C9 | C13 | S1 | O4 | 71.6° | 22.5° |
| C9 | C13 | S1 | O5 | 57.8° | 157.4° |
| H9 | C9 | C13 | C10 | 177.1° | 179.9° |
| H9 | C9 | C13 | S1 | 12.2° | 0.0° |
| C10 | C13 | S1 | O6 | 6.3° | 90.1° |
| C10 | C13 | S1 | O4 | 122.1° | 157.4° |
| C13 | C10 | O3 | H3 | 178.8° | 90.0° |
| C10 | C13 | S1 | O5 | 108.5° | 22.5° |
| O3 | C10 | C13 | S1 | 13.1° | 0.1° |
| C14 | C11 | C6 | H11 | 180.0° | 179.9° |
| C11 | C14 | C12 | H14 | 180.0° | 180.0° |
| C11 | C14 | C12 | C7 | 0.2° | 0.1° |
| C11 | C14 | C12 | H12 | 179.8° | 179.9° |
| C6 | C11 | C14 | C12 | 0.5° | 0.1° |
| C6 | C11 | C14 | H14 | 179.5° | 179.9° |
| H11 | C11 | C14 | C12 | 179.5° | 180.0° |
| H11 | C11 | C14 | H14 | 0.5° | 0.1° |
| C14 | C12 | C7 | H12 | 180.0° | 179.9° |
| C14 | C12 | C7 | H7 | 179.7° | 180.0° |
| C7 | C12 | C14 | H14 | 179.8° | 180.0° |
| H12 | C12 | C14 | H14 | 0.2° | 0.1° |
| H12 | C12 | C7 | H7 | 0.3° | 0.0° |
| C13 | S1 | O6 | O4 | 119.7° | 112.6° |
| C13 | S1 | O6 | O5 | 121.9° | 112.6° |
| C13 | S1 | O6 | H6 | 180.0° | 180.0° |
| C13 | S1 | O4 | O5 | 131.1° | 123.2° |
| O6 | S1 | O4 | O5 | 113.6° | 123.1° |
| H6 | O6 | S1 | O4 | 60.3° | 67.5° |
| H6 | O6 | S1 | O5 | 58.1° | 67.3° |
