A1ADZ
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 | 1.39Å | Aromatic |
| C9 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | O23 | sing | 1.36Å | 1.36Å | |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| C24 | O23 | sing | 1.43Å | 1.43Å | |
| C5 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| C2 | C3 | sing | 1.51Å | 1.58Å | |
| C3 | OXT | sing | 1.34Å | 1.39Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | O1 | doub | 1.21Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| N1 | H13 | sing | 1.01Å | 1.00Å | |
| N1 | H14 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C11 | C10 | 120.3° | 120.1° |
| C11 | C9 | C7 | 120.2° | 120.1° |
| C9 | C11 | H2 | 119.8° | 120.0° |
| C11 | C9 | H12 | 119.9° | 120.0° |
| C11 | C10 | C8 | 119.2° | 120.0° |
| C11 | C10 | H1 | 120.4° | 120.0° |
| C10 | C11 | H2 | 119.9° | 120.0° |
| C9 | C7 | C6 | 121.1° | 120.1° |
| C9 | C7 | H11 | 119.5° | 120.0° |
| C7 | C9 | H12 | 119.9° | 119.9° |
| C10 | C8 | C6 | 121.7° | 119.9° |
| C10 | C8 | O23 | 122.8° | 120.1° |
| C8 | C10 | H1 | 120.4° | 120.0° |
| C7 | C6 | C8 | 117.7° | 119.9° |
| C7 | C6 | C5 | 120.8° | 120.1° |
| C6 | C7 | H11 | 119.5° | 120.0° |
| C6 | C8 | O23 | 115.5° | 120.0° |
| C8 | C6 | C5 | 121.5° | 120.0° |
| C8 | O23 | C24 | 117.1° | 117.0° |
| C6 | C5 | C2 | 113.1° | 109.5° |
| C6 | C5 | H9 | 108.6° | 109.4° |
| C6 | C5 | H10 | 108.6° | 109.4° |
| O23 | C24 | H4 | 109.5° | 109.4° |
| O23 | C24 | H5 | 109.5° | 109.5° |
| O23 | C24 | H6 | 109.5° | 109.5° |
| C5 | C2 | N1 | 107.2° | 109.4° |
| C5 | C2 | C3 | 113.3° | 109.4° |
| C5 | C2 | H3 | 106.7° | 109.4° |
| C2 | C5 | H9 | 108.6° | 109.5° |
| C2 | C5 | H10 | 108.5° | 109.5° |
| N1 | C2 | C3 | 115.4° | 109.5° |
| N1 | C2 | H3 | 107.6° | 109.5° |
| C2 | N1 | H13 | 109.5° | 111.0° |
| C2 | N1 | H14 | 109.5° | 111.1° |
| C2 | C3 | OXT | 119.3° | 120.0° |
| C3 | C2 | H3 | 106.3° | 109.5° |
| C2 | C3 | O1 | 107.0° | 120.0° |
| OXT | C3 | O1 | 106.9° | 120.0° |
| C3 | OXT | HXT | 109.5° | 117.0° |
| H4 | C24 | H5 | 109.5° | 109.5° |
| H4 | C24 | H6 | 109.5° | 109.4° |
| H5 | C24 | H6 | 109.4° | 109.5° |
| H9 | C5 | H10 | 109.5° | 109.4° |
| H13 | N1 | H14 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C11 | C10 | H2 | 180.0° | 179.9° |
| C11 | C9 | C7 | H12 | 180.0° | 180.0° |
| C9 | C11 | C10 | C8 | 0.1° | 0.1° |
| C11 | C9 | C7 | C6 | 0.1° | 0.3° |
| C9 | C11 | C10 | H1 | 179.9° | 179.8° |
| C11 | C9 | C7 | H11 | 179.9° | 179.7° |
| C10 | C11 | C9 | C7 | 0.0° | 0.1° |
| C11 | C10 | C8 | H1 | 180.0° | 179.7° |
| C11 | C10 | C8 | C6 | 0.1° | 0.3° |
| C11 | C10 | C8 | O23 | 178.4° | 179.7° |
| C10 | C11 | C9 | H12 | 180.0° | 180.0° |
| C9 | C7 | C6 | H11 | 180.0° | 179.9° |
| C9 | C7 | C6 | C8 | 0.1° | 0.5° |
| C9 | C7 | C6 | C5 | 177.4° | 180.0° |
| C7 | C9 | C11 | H2 | 180.0° | 180.0° |
| C10 | C8 | C6 | C7 | 0.0° | 0.5° |
| C10 | C8 | C6 | O23 | 178.5° | 180.0° |
| C10 | C8 | C6 | C5 | 177.4° | 180.0° |
| C10 | C8 | O23 | C24 | 5.4° | 0.0° |
| C8 | C10 | C11 | H2 | 179.9° | 180.0° |
| C7 | C6 | C8 | C5 | 177.4° | 179.6° |
| C7 | C6 | C8 | O23 | 178.6° | 179.5° |
| C7 | C6 | C5 | C2 | 22.8° | 95.0° |
| C7 | C6 | C5 | H9 | 97.7° | 145.0° |
| C7 | C6 | C5 | H10 | 143.3° | 25.1° |
| C6 | C7 | C9 | H12 | 179.9° | 179.8° |
| C6 | C8 | O23 | C24 | 176.1° | 180.0° |
| C8 | C6 | C5 | C2 | 159.8° | 85.5° |
| C6 | C8 | C10 | H1 | 179.9° | 180.0° |
| C8 | C6 | C5 | H9 | 79.6° | 34.6° |
| C8 | C6 | C5 | H10 | 39.3° | 154.5° |
| C8 | C6 | C7 | H11 | 179.9° | 179.5° |
| O23 | C8 | C6 | C5 | 1.1° | 0.1° |
| O23 | C8 | C10 | H1 | 1.6° | 0.0° |
| C8 | O23 | C24 | H4 | 180.0° | 59.9° |
| C8 | O23 | C24 | H5 | 60.0° | 180.0° |
| C8 | O23 | C24 | H6 | 60.0° | 60.0° |
| C6 | C5 | C2 | H9 | 120.5° | 120.0° |
| C6 | C5 | C2 | H10 | 120.6° | 120.0° |
| C6 | C5 | C2 | N1 | 73.5° | 65.0° |
| C6 | C5 | C2 | C3 | 158.1° | 175.0° |
| C6 | C5 | C2 | H3 | 41.5° | 55.0° |
| C6 | C5 | H9 | H10 | 118.4° | 119.9° |
| C5 | C6 | C7 | H11 | 2.7° | 0.1° |
| O23 | C24 | H4 | H5 | 120.0° | 120.1° |
| O23 | C24 | H4 | H6 | 120.0° | 119.9° |
| O23 | C24 | H5 | H6 | 120.0° | 120.0° |
| C5 | C2 | N1 | C3 | 127.1° | 120.0° |
| C5 | C2 | N1 | H3 | 114.4° | 120.0° |
| C5 | C2 | C3 | H3 | 116.8° | 119.9° |
| C5 | C2 | C3 | OXT | 148.7° | 80.0° |
| C5 | C2 | C3 | O1 | 27.3° | 100.0° |
| C2 | C5 | H9 | H10 | 118.3° | 120.0° |
| C5 | C2 | N1 | H13 | 180.0° | 176.0° |
| C5 | C2 | N1 | H14 | 60.0° | 60.0° |
| N1 | C2 | C3 | H3 | 119.2° | 120.1° |
| N1 | C2 | C3 | OXT | 24.7° | 160.0° |
| N1 | C2 | C3 | O1 | 96.7° | 20.0° |
| N1 | C2 | C5 | H9 | 166.0° | 55.0° |
| N1 | C2 | C5 | H10 | 47.1° | 175.0° |
| C2 | N1 | H13 | H14 | 120.0° | 124.0° |
| C2 | C3 | OXT | O1 | 121.4° | 180.0° |
| C3 | C2 | C5 | H9 | 37.6° | 65.0° |
| C3 | C2 | C5 | H10 | 81.3° | 55.0° |
| C3 | C2 | N1 | H13 | 52.9° | 64.0° |
| C3 | C2 | N1 | H14 | 67.1° | 60.0° |
| C2 | C3 | OXT | HXT | 121.4° | 180.0° |
| OXT | C3 | C2 | H3 | 94.4° | 39.9° |
| H1 | C10 | C11 | H2 | 0.1° | 0.3° |
| H2 | C11 | C9 | H12 | 0.0° | 0.0° |
| H3 | C2 | C3 | O1 | 144.2° | 140.0° |
| H3 | C2 | C5 | H9 | 79.0° | 175.0° |
| H3 | C2 | C5 | H10 | 162.1° | 65.0° |
| H3 | C2 | N1 | H13 | 65.6° | 56.0° |
| H3 | C2 | N1 | H14 | 174.4° | 180.0° |
| H4 | C24 | H5 | H6 | 120.0° | 120.0° |
| O1 | C3 | OXT | HXT | 0.0° | 0.0° |
| H11 | C7 | C9 | H12 | 0.1° | 0.3° |
