A1AP5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.47Å | |
| C1 | O | sing | 1.43Å | 1.43Å | |
| O | C2 | sing | 1.35Å | 1.35Å | |
| C2 | N | doub | 1.32Å | 1.32Å | Aromatic |
| N | C3 | sing | 1.32Å | 1.34Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.50Å | |
| C7 | O1 | doub | 1.22Å | 1.22Å | |
| N1 | C7 | sing | 1.35Å | 1.35Å | |
| C8 | N1 | sing | 1.46Å | 1.46Å | |
| C9 | N1 | sing | 1.47Å | 1.47Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | O | 107.2° | 109.5° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H1 | 109.4° | 109.5° |
| C1 | C | H | 109.5° | 109.4° |
| C | C1 | H4 | 110.0° | 109.5° |
| C | C1 | H3 | 110.1° | 109.5° |
| C1 | O | C2 | 118.1° | 117.0° |
| O | C1 | H4 | 110.0° | 109.5° |
| O | C1 | H3 | 110.0° | 109.4° |
| O | C2 | N | 120.2° | 119.7° |
| O | C2 | C6 | 114.7° | 119.8° |
| C2 | N | C3 | 116.7° | 121.7° |
| N | C2 | C6 | 125.1° | 120.5° |
| N | C3 | C4 | 123.6° | 121.2° |
| N | C3 | H5 | 118.2° | 119.4° |
| C3 | C4 | C5 | 118.8° | 119.5° |
| C3 | C4 | H6 | 120.6° | 120.2° |
| C4 | C3 | H5 | 118.2° | 119.5° |
| C4 | C5 | C6 | 119.3° | 118.3° |
| C5 | C4 | H6 | 120.6° | 120.3° |
| C4 | C5 | H7 | 120.3° | 120.8° |
| C5 | C6 | C2 | 116.4° | 118.8° |
| C5 | C6 | C7 | 118.9° | 120.6° |
| C6 | C5 | H7 | 120.4° | 120.9° |
| C2 | C6 | C7 | 124.6° | 120.6° |
| C6 | C7 | O1 | 118.4° | 120.0° |
| C6 | C7 | N1 | 119.2° | 120.0° |
| O1 | C7 | N1 | 122.4° | 120.0° |
| C7 | N1 | C8 | 118.8° | 120.0° |
| C7 | N1 | C9 | 127.2° | 120.0° |
| C8 | N1 | C9 | 114.0° | 120.0° |
| N1 | C8 | H10 | 109.5° | 109.4° |
| N1 | C8 | H8 | 109.4° | 109.5° |
| N1 | C8 | H9 | 109.5° | 109.5° |
| N1 | C9 | H12 | 109.5° | 109.5° |
| N1 | C9 | H13 | 109.5° | 109.5° |
| N1 | C9 | H11 | 109.5° | 109.5° |
| H10 | C8 | H8 | 109.4° | 109.4° |
| H10 | C8 | H9 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H2 | C | H1 | 109.5° | 109.5° |
| H2 | C | H | 109.5° | 109.4° |
| H1 | C | H | 109.5° | 109.5° |
| H4 | C1 | H3 | 109.4° | 109.5° |
| H12 | C9 | H13 | 109.5° | 109.5° |
| H12 | C9 | H11 | 109.4° | 109.5° |
| H13 | C9 | H11 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | O | H4 | 119.7° | 120.1° |
| C | C1 | O | H3 | 119.7° | 120.0° |
| C | C1 | O | C2 | 173.0° | 180.0° |
| C1 | C | H2 | H1 | 120.0° | 120.0° |
| C1 | C | H2 | H | 120.0° | 119.9° |
| C1 | C | H1 | H | 120.0° | 120.0° |
| C | C1 | H4 | H3 | 121.1° | 120.0° |
| C1 | O | C2 | N | 10.3° | 0.0° |
| C1 | O | C2 | C6 | 172.4° | 179.9° |
| O | C1 | C | H2 | 180.0° | 60.0° |
| O | C1 | C | H1 | 60.0° | 60.0° |
| O | C1 | C | H | 60.0° | 180.0° |
| O | C1 | H4 | H3 | 121.0° | 119.9° |
| O | C2 | N | C6 | 177.0° | 179.9° |
| O | C2 | N | C3 | 176.6° | 179.8° |
| O | C2 | C6 | C5 | 177.2° | 180.0° |
| O | C2 | C6 | C7 | 3.4° | 0.1° |
| C2 | O | C1 | H4 | 67.4° | 59.9° |
| C2 | O | C1 | H3 | 53.3° | 60.0° |
| C2 | N | C3 | C4 | 0.6° | 0.5° |
| N | C2 | C6 | C5 | 0.0° | 0.1° |
| N | C2 | C6 | C7 | 179.5° | 180.0° |
| C2 | N | C3 | H5 | 179.4° | 179.9° |
| N | C3 | C4 | H5 | 180.0° | 179.5° |
| N | C3 | C4 | C5 | 0.4° | 0.5° |
| C3 | N | C2 | C6 | 0.4° | 0.3° |
| N | C3 | C4 | H6 | 179.6° | 179.7° |
| C3 | C4 | C5 | H6 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 0.1° | 0.2° |
| C3 | C4 | C5 | H7 | 179.9° | 179.8° |
| C4 | C5 | C6 | H7 | 180.0° | 179.9° |
| C4 | C5 | C6 | C2 | 0.2° | 0.1° |
| C4 | C5 | C6 | C7 | 179.7° | 180.0° |
| C5 | C4 | C3 | H5 | 179.7° | 180.0° |
| C5 | C6 | C2 | C7 | 179.5° | 179.9° |
| C5 | C6 | C7 | O1 | 50.8° | 137.1° |
| C5 | C6 | C7 | N1 | 126.5° | 42.9° |
| C6 | C5 | C4 | H6 | 180.0° | 179.9° |
| C2 | C6 | C7 | O1 | 128.6° | 42.8° |
| C2 | C6 | C7 | N1 | 54.0° | 137.2° |
| C2 | C6 | C5 | H7 | 179.8° | 180.0° |
| C6 | C7 | O1 | N1 | 177.3° | 180.0° |
| C6 | C7 | N1 | C8 | 176.4° | 175.1° |
| C6 | C7 | N1 | C9 | 3.5° | 5.1° |
| C7 | C6 | C5 | H7 | 0.3° | 0.1° |
| O1 | C7 | N1 | C8 | 6.4° | 4.9° |
| O1 | C7 | N1 | C9 | 173.8° | 174.9° |
| C7 | N1 | C8 | C9 | 179.9° | 179.7° |
| C7 | N1 | C8 | H10 | 180.0° | 0.0° |
| C7 | N1 | C8 | H8 | 60.0° | 120.0° |
| C7 | N1 | C8 | H9 | 60.0° | 120.0° |
| C7 | N1 | C9 | H12 | 180.0° | 86.4° |
| C7 | N1 | C9 | H13 | 60.0° | 153.6° |
| C7 | N1 | C9 | H11 | 60.0° | 33.6° |
| N1 | C8 | H10 | H8 | 120.0° | 120.0° |
| N1 | C8 | H10 | H9 | 120.0° | 120.0° |
| N1 | C8 | H8 | H9 | 120.0° | 120.1° |
| C8 | N1 | C9 | H12 | 0.1° | 93.9° |
| C8 | N1 | C9 | H13 | 119.9° | 26.2° |
| C8 | N1 | C9 | H11 | 120.1° | 146.1° |
| C9 | N1 | C8 | H10 | 0.1° | 179.7° |
| C9 | N1 | C8 | H8 | 120.1° | 59.8° |
| C9 | N1 | C8 | H9 | 119.9° | 60.3° |
| N1 | C9 | H12 | H13 | 120.0° | 120.0° |
| N1 | C9 | H12 | H11 | 120.0° | 120.0° |
| N1 | C9 | H13 | H11 | 120.0° | 120.0° |
| H6 | C4 | C5 | H7 | 0.0° | 0.0° |
| H6 | C4 | C3 | H5 | 0.4° | 0.2° |
| H10 | C8 | H8 | H9 | 120.0° | 120.0° |
| H2 | C | H1 | H | 120.0° | 120.0° |
| H2 | C | C1 | H4 | 60.4° | 60.0° |
| H2 | C | C1 | H3 | 60.3° | 180.0° |
| H1 | C | C1 | H4 | 59.7° | 180.0° |
| H1 | C | C1 | H3 | 179.6° | 60.0° |
| H | C | C1 | H4 | 179.7° | 60.0° |
| H | C | C1 | H3 | 59.6° | 60.1° |
| H12 | C9 | H13 | H11 | 119.9° | 120.0° |
