A1ADY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | N23 | sing | 1.48Å | 1.46Å | |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| N23 | O24 | sing | 1.22Å | 1.22Å | |
| N23 | O25 | doub | 1.22Å | 1.22Å | |
| C2 | C5 | sing | 1.53Å | 1.53Å | |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| C2 | C3 | sing | 1.51Å | 1.49Å | |
| OXT | C3 | sing | 1.34Å | 1.31Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | O1 | doub | 1.21Å | 1.10Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C11 | C10 | 119.9° | 119.9° |
| C11 | C9 | C7 | 120.3° | 120.0° |
| C11 | C9 | H11 | 119.9° | 120.0° |
| C9 | C11 | H12 | 120.1° | 120.0° |
| C11 | C10 | C8 | 119.0° | 120.0° |
| C11 | C10 | H7 | 120.5° | 119.9° |
| C10 | C11 | H12 | 120.0° | 120.0° |
| C9 | C7 | C6 | 121.9° | 120.0° |
| C9 | C7 | H6 | 119.1° | 120.0° |
| C7 | C9 | H11 | 119.9° | 120.0° |
| C10 | C8 | C6 | 123.0° | 120.0° |
| C10 | C8 | N23 | 116.1° | 120.0° |
| C8 | C10 | H7 | 120.5° | 120.1° |
| C7 | C6 | C8 | 115.9° | 120.0° |
| C7 | C6 | C5 | 120.0° | 120.0° |
| C6 | C7 | H6 | 119.0° | 120.0° |
| C6 | C8 | N23 | 120.9° | 120.0° |
| C8 | C6 | C5 | 124.1° | 120.0° |
| C8 | N23 | O24 | 118.1° | 120.0° |
| C8 | N23 | O25 | 118.2° | 120.0° |
| C6 | C5 | C2 | 113.3° | 109.5° |
| C6 | C5 | H4 | 108.5° | 109.4° |
| C6 | C5 | H5 | 108.5° | 109.5° |
| O24 | N23 | O25 | 123.6° | 120.0° |
| C5 | C2 | N1 | 110.0° | 109.4° |
| C5 | C2 | C3 | 109.2° | 109.5° |
| C2 | C5 | H4 | 108.5° | 109.4° |
| C2 | C5 | H5 | 108.5° | 109.5° |
| C5 | C2 | H8 | 108.7° | 109.5° |
| N1 | C2 | C3 | 110.0° | 109.5° |
| C2 | N1 | H1 | 109.5° | 111.0° |
| C2 | N1 | H2 | 109.5° | 111.0° |
| N1 | C2 | H8 | 109.6° | 109.5° |
| C2 | C3 | OXT | 112.3° | 120.0° |
| C3 | C2 | H8 | 109.3° | 109.4° |
| C2 | C3 | O1 | 108.7° | 120.0° |
| OXT | C3 | O1 | 108.8° | 120.0° |
| C3 | OXT | HXT | 109.5° | 117.1° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| H4 | C5 | H5 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C11 | C10 | H12 | 180.0° | 179.9° |
| C11 | C9 | C7 | H11 | 180.0° | 179.9° |
| C9 | C11 | C10 | C8 | 0.0° | 0.2° |
| C11 | C9 | C7 | C6 | 0.1° | 0.1° |
| C11 | C9 | C7 | H6 | 179.9° | 179.9° |
| C9 | C11 | C10 | H7 | 180.0° | 179.8° |
| C10 | C11 | C9 | C7 | 0.0° | 0.1° |
| C11 | C10 | C8 | H7 | 180.0° | 180.0° |
| C11 | C10 | C8 | C6 | 0.1° | 0.0° |
| C11 | C10 | C8 | N23 | 179.8° | 179.9° |
| C10 | C11 | C9 | H11 | 180.0° | 179.8° |
| C9 | C7 | C6 | H6 | 180.0° | 179.9° |
| C9 | C7 | C6 | C8 | 0.2° | 0.3° |
| C9 | C7 | C6 | C5 | 178.3° | 179.9° |
| C7 | C9 | C11 | H12 | 180.0° | 180.0° |
| C10 | C8 | C6 | C7 | 0.2° | 0.2° |
| C10 | C8 | C6 | N23 | 179.9° | 179.9° |
| C10 | C8 | C6 | C5 | 178.3° | 180.0° |
| C10 | C8 | N23 | O24 | 104.2° | 5.5° |
| C10 | C8 | N23 | O25 | 76.2° | 174.6° |
| C8 | C10 | C11 | H12 | 180.0° | 179.9° |
| C7 | C6 | C8 | C5 | 178.5° | 179.8° |
| C7 | C6 | C8 | N23 | 179.7° | 179.7° |
| C7 | C6 | C5 | C2 | 1.6° | 103.1° |
| C7 | C6 | C5 | H4 | 119.0° | 137.0° |
| C7 | C6 | C5 | H5 | 122.2° | 17.0° |
| C6 | C7 | C9 | H11 | 179.9° | 180.0° |
| C6 | C8 | N23 | O24 | 75.9° | 174.6° |
| C6 | C8 | N23 | O25 | 103.7° | 5.3° |
| C8 | C6 | C5 | C2 | 180.0° | 77.1° |
| C8 | C6 | C5 | H4 | 59.4° | 42.8° |
| C8 | C6 | C5 | H5 | 59.4° | 162.8° |
| C8 | C6 | C7 | H6 | 179.8° | 179.8° |
| C6 | C8 | C10 | H7 | 179.9° | 180.0° |
| N23 | C8 | C6 | C5 | 1.8° | 0.1° |
| C8 | N23 | O24 | O25 | 179.6° | 180.0° |
| N23 | C8 | C10 | H7 | 0.2° | 0.1° |
| C6 | C5 | C2 | H4 | 120.6° | 119.9° |
| C6 | C5 | C2 | H5 | 120.6° | 120.0° |
| C6 | C5 | C2 | N1 | 77.5° | 65.1° |
| C6 | C5 | C2 | C3 | 161.7° | 174.9° |
| C6 | C5 | H4 | H5 | 118.2° | 120.0° |
| C5 | C6 | C7 | H6 | 1.6° | 0.0° |
| C6 | C5 | C2 | H8 | 42.5° | 54.9° |
| C5 | C2 | N1 | C3 | 120.3° | 120.0° |
| C5 | C2 | N1 | H8 | 119.5° | 120.1° |
| C5 | C2 | C3 | H8 | 118.8° | 120.1° |
| C5 | C2 | C3 | OXT | 99.7° | 80.0° |
| C5 | C2 | N1 | H1 | 180.0° | 174.7° |
| C5 | C2 | N1 | H2 | 60.0° | 61.3° |
| C2 | C5 | H4 | H5 | 118.2° | 120.1° |
| C5 | C2 | C3 | O1 | 20.7° | 99.9° |
| N1 | C2 | C3 | H8 | 120.4° | 120.0° |
| N1 | C2 | C3 | OXT | 139.5° | 160.0° |
| C2 | N1 | H1 | H2 | 120.0° | 124.0° |
| N1 | C2 | C5 | H4 | 162.0° | 175.0° |
| N1 | C2 | C5 | H5 | 43.1° | 54.9° |
| N1 | C2 | C3 | O1 | 100.0° | 20.0° |
| C2 | C3 | OXT | O1 | 120.4° | 180.0° |
| C3 | C2 | N1 | H1 | 59.7° | 65.3° |
| C3 | C2 | N1 | H2 | 60.3° | 58.7° |
| C3 | C2 | C5 | H4 | 41.2° | 55.0° |
| C3 | C2 | C5 | H5 | 77.7° | 65.0° |
| C2 | C3 | OXT | HXT | 120.4° | 180.0° |
| OXT | C3 | C2 | H8 | 19.1° | 40.0° |
| H1 | N1 | C2 | H8 | 60.5° | 54.7° |
| H2 | N1 | C2 | H8 | 179.5° | 178.6° |
| H4 | C5 | C2 | H8 | 78.0° | 65.0° |
| H5 | C5 | C2 | H8 | 163.1° | 175.0° |
| H6 | C7 | C9 | H11 | 0.1° | 0.0° |
| H7 | C10 | C11 | H12 | 0.0° | 0.1° |
| H8 | C2 | C3 | O1 | 139.6° | 140.0° |
| O1 | C3 | OXT | HXT | 0.0° | 0.1° |
| H11 | C9 | C11 | H12 | 0.0° | 0.2° |
