A1AP6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | sing | 1.46Å | 1.46Å | |
| C1 | N | sing | 1.46Å | 1.46Å | |
| N | C2 | sing | 1.35Å | 1.35Å | |
| O | C2 | doub | 1.21Å | 1.22Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C3 | N1 | sing | 1.46Å | 1.45Å | |
| N1 | C4 | sing | 1.35Å | 1.34Å | |
| C4 | O1 | doub | 1.22Å | 1.23Å | |
| C5 | C4 | sing | 1.47Å | 1.50Å | |
| C5 | S | sing | 1.76Å | 1.73Å | Aromatic |
| S | C6 | sing | 1.71Å | 1.72Å | Aromatic |
| C6 | N2 | doub | 1.29Å | 1.30Å | Aromatic |
| N2 | C7 | sing | 1.31Å | 1.38Å | Aromatic |
| C7 | C5 | doub | 1.36Å | 1.37Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.49Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | C1 | 114.9° | 120.0° |
| C | N | C2 | 123.3° | 120.0° |
| N | C | H2 | 109.5° | 109.5° |
| N | C | H | 109.5° | 109.5° |
| N | C | H1 | 109.5° | 109.5° |
| C1 | N | C2 | 121.7° | 120.0° |
| N | C1 | H5 | 109.5° | 109.5° |
| N | C1 | H4 | 109.5° | 109.4° |
| N | C1 | H3 | 109.5° | 109.5° |
| N | C2 | O | 121.7° | 120.0° |
| N | C2 | C3 | 118.2° | 120.0° |
| O | C2 | C3 | 120.1° | 120.0° |
| C2 | C3 | N1 | 111.5° | 109.5° |
| C2 | C3 | H7 | 109.0° | 109.5° |
| C2 | C3 | H6 | 109.0° | 109.5° |
| C3 | N1 | C4 | 121.7° | 120.0° |
| C3 | N1 | H8 | 119.1° | 120.0° |
| N1 | C3 | H7 | 109.0° | 109.5° |
| N1 | C3 | H6 | 109.0° | 109.5° |
| N1 | C4 | O1 | 122.7° | 120.0° |
| N1 | C4 | C5 | 117.5° | 120.0° |
| C4 | N1 | H8 | 119.2° | 120.0° |
| O1 | C4 | C5 | 119.8° | 120.0° |
| C4 | C5 | S | 122.3° | 126.1° |
| C4 | C5 | C7 | 127.9° | 126.2° |
| C5 | S | C6 | 88.8° | 90.3° |
| S | C5 | C7 | 109.8° | 107.7° |
| S | C6 | N2 | 116.2° | 110.4° |
| S | C6 | H9 | 121.9° | 124.8° |
| C6 | N2 | C7 | 110.3° | 117.4° |
| N2 | C6 | H9 | 121.9° | 124.8° |
| N2 | C7 | C5 | 114.9° | 114.2° |
| N2 | C7 | C8 | 118.1° | 122.9° |
| C5 | C7 | C8 | 126.9° | 122.9° |
| C7 | C8 | H10 | 109.5° | 109.5° |
| C7 | C8 | H11 | 109.5° | 109.5° |
| C7 | C8 | H12 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.4° | 109.5° |
| H10 | C8 | H12 | 109.5° | 109.5° |
| H11 | C8 | H12 | 109.5° | 109.4° |
| H2 | C | H | 109.5° | 109.5° |
| H2 | C | H1 | 109.5° | 109.4° |
| H | C | H1 | 109.5° | 109.5° |
| H5 | C1 | H4 | 109.4° | 109.5° |
| H5 | C1 | H3 | 109.5° | 109.5° |
| H4 | C1 | H3 | 109.5° | 109.5° |
| H7 | C3 | H6 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | C1 | C2 | 179.7° | 180.0° |
| C | N | C2 | O | 143.1° | 0.0° |
| C | N | C2 | C3 | 37.6° | 180.0° |
| N | C | H2 | H | 120.0° | 120.1° |
| N | C | H2 | H1 | 120.0° | 120.0° |
| N | C | H | H1 | 120.0° | 120.1° |
| C | N | C1 | H5 | 180.0° | 90.0° |
| C | N | C1 | H4 | 60.0° | 30.1° |
| C | N | C1 | H3 | 60.0° | 150.0° |
| C1 | N | C2 | O | 37.2° | 180.0° |
| C1 | N | C2 | C3 | 142.1° | 0.0° |
| C1 | N | C | H2 | 180.0° | 90.1° |
| C1 | N | C | H | 60.0° | 30.0° |
| C1 | N | C | H1 | 60.0° | 150.0° |
| N | C1 | H5 | H4 | 120.0° | 120.0° |
| N | C1 | H5 | H3 | 120.0° | 120.0° |
| N | C1 | H4 | H3 | 120.0° | 119.9° |
| N | C2 | O | C3 | 179.3° | 179.9° |
| N | C2 | C3 | N1 | 174.1° | 180.0° |
| C2 | N | C | H2 | 0.3° | 90.0° |
| C2 | N | C | H | 120.3° | 150.0° |
| C2 | N | C | H1 | 119.7° | 29.9° |
| C2 | N | C1 | H5 | 0.3° | 90.0° |
| C2 | N | C1 | H4 | 119.7° | 150.0° |
| C2 | N | C1 | H3 | 120.3° | 30.0° |
| N | C2 | C3 | H7 | 53.8° | 60.0° |
| N | C2 | C3 | H6 | 65.6° | 60.0° |
| O | C2 | C3 | N1 | 6.6° | 0.0° |
| O | C2 | C3 | H7 | 126.9° | 120.1° |
| O | C2 | C3 | H6 | 113.7° | 120.0° |
| C2 | C3 | N1 | H7 | 120.3° | 120.0° |
| C2 | C3 | N1 | H6 | 120.3° | 120.0° |
| C2 | C3 | N1 | C4 | 85.4° | 180.0° |
| C2 | C3 | N1 | H8 | 94.6° | 0.3° |
| C2 | C3 | H7 | H6 | 119.1° | 120.0° |
| C3 | N1 | C4 | H8 | 180.0° | 179.7° |
| C3 | N1 | C4 | O1 | 19.1° | 0.3° |
| C3 | N1 | C4 | C5 | 160.8° | 179.7° |
| N1 | C3 | H7 | H6 | 119.1° | 120.0° |
| N1 | C4 | O1 | C5 | 179.9° | 180.0° |
| N1 | C4 | C5 | S | 21.0° | 0.0° |
| N1 | C4 | C5 | C7 | 161.1° | 179.7° |
| C4 | N1 | C3 | H7 | 154.3° | 60.0° |
| C4 | N1 | C3 | H6 | 34.9° | 60.0° |
| O1 | C4 | C5 | S | 159.1° | 179.9° |
| O1 | C4 | C5 | C7 | 18.8° | 0.3° |
| O1 | C4 | N1 | H8 | 160.9° | 180.0° |
| C4 | C5 | S | C7 | 178.3° | 179.7° |
| C4 | C5 | S | C6 | 177.6° | 180.0° |
| C4 | C5 | C7 | N2 | 177.3° | 180.0° |
| C4 | C5 | C7 | C8 | 4.3° | 0.0° |
| C5 | C4 | N1 | H8 | 19.2° | 0.0° |
| C5 | S | C6 | N2 | 0.4° | 0.3° |
| S | C5 | C7 | N2 | 0.9° | 0.2° |
| S | C5 | C7 | C8 | 177.5° | 179.7° |
| C5 | S | C6 | H9 | 179.7° | 180.0° |
| S | C6 | N2 | H9 | 180.0° | 179.7° |
| S | C6 | N2 | C7 | 0.0° | 0.3° |
| C6 | S | C5 | C7 | 0.7° | 0.3° |
| C6 | N2 | C7 | C5 | 0.6° | 0.0° |
| C6 | N2 | C7 | C8 | 177.9° | 180.0° |
| N2 | C7 | C5 | C8 | 178.4° | 180.0° |
| C7 | N2 | C6 | H9 | 179.9° | 180.0° |
| N2 | C7 | C8 | H10 | 0.0° | 90.0° |
| N2 | C7 | C8 | H11 | 120.0° | 30.0° |
| N2 | C7 | C8 | H12 | 120.0° | 150.0° |
| C5 | C7 | C8 | H10 | 178.3° | 90.0° |
| C5 | C7 | C8 | H11 | 58.3° | 150.0° |
| C5 | C7 | C8 | H12 | 61.7° | 30.0° |
| C7 | C8 | H10 | H11 | 120.0° | 120.0° |
| C7 | C8 | H10 | H12 | 120.0° | 120.0° |
| C7 | C8 | H11 | H12 | 120.0° | 120.0° |
| H8 | N1 | C3 | H7 | 25.7° | 120.3° |
| H8 | N1 | C3 | H6 | 145.1° | 119.7° |
| H10 | C8 | H11 | H12 | 120.0° | 120.0° |
| H2 | C | H | H1 | 120.0° | 119.9° |
| H5 | C1 | H4 | H3 | 120.0° | 120.1° |
