A1AP2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.22Å | 1.22Å | |
| C | N | sing | 1.35Å | 1.34Å | |
| N | C1 | sing | 1.47Å | 1.47Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.50Å | 1.50Å | |
| C4 | O1 | doub | 1.21Å | 1.23Å | |
| N1 | C4 | sing | 1.33Å | 1.33Å | |
| C5 | N1 | sing | 1.46Å | 1.46Å | |
| C1 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | C | sing | 1.47Å | 1.48Å | |
| C6 | C7 | doub | 1.35Å | 1.35Å | Aromatic |
| C7 | S | sing | 1.71Å | 1.70Å | Aromatic |
| S | C8 | sing | 1.71Å | 1.71Å | Aromatic |
| C8 | N2 | doub | 1.29Å | 1.30Å | Aromatic |
| N2 | C6 | sing | 1.34Å | 1.39Å | Aromatic |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | N | 123.4° | 120.0° |
| O | C | C6 | 121.4° | 119.9° |
| C | N | C1 | 122.9° | 120.0° |
| N | C | C6 | 115.2° | 120.0° |
| C | N | H | 118.6° | 120.0° |
| N | C1 | C2 | 110.2° | 109.6° |
| N | C1 | C5 | 109.5° | 109.6° |
| C1 | N | H | 118.6° | 119.9° |
| N | C1 | H1 | 109.5° | 109.7° |
| C1 | C2 | C3 | 112.3° | 108.6° |
| C2 | C1 | C5 | 110.0° | 108.7° |
| C2 | C1 | H1 | 108.8° | 109.6° |
| C1 | C2 | H3 | 108.8° | 109.7° |
| C1 | C2 | H2 | 108.7° | 109.7° |
| C2 | C3 | C4 | 116.3° | 110.0° |
| C3 | C2 | H3 | 108.7° | 109.7° |
| C3 | C2 | H2 | 108.8° | 109.4° |
| C2 | C3 | H5 | 107.7° | 109.4° |
| C2 | C3 | H4 | 107.7° | 109.4° |
| C3 | C4 | O1 | 120.4° | 118.2° |
| C3 | C4 | N1 | 118.7° | 123.5° |
| C4 | C3 | H5 | 107.8° | 109.7° |
| C4 | C3 | H4 | 107.7° | 109.1° |
| O1 | C4 | N1 | 120.8° | 118.3° |
| C4 | N1 | C5 | 125.9° | 124.1° |
| C4 | N1 | H6 | 117.0° | 118.0° |
| N1 | C5 | C1 | 109.7° | 110.4° |
| C5 | N1 | H6 | 117.0° | 117.9° |
| N1 | C5 | H8 | 109.4° | 109.3° |
| N1 | C5 | H7 | 109.4° | 109.3° |
| C1 | C5 | H8 | 109.4° | 109.3° |
| C1 | C5 | H7 | 109.4° | 109.1° |
| C5 | C1 | H1 | 108.8° | 109.6° |
| C | C6 | C7 | 123.8° | 123.2° |
| C | C6 | N2 | 120.8° | 123.1° |
| C6 | C7 | S | 110.2° | 108.8° |
| C7 | C6 | N2 | 115.3° | 113.7° |
| C6 | C7 | H9 | 124.9° | 125.6° |
| C7 | S | C8 | 89.3° | 91.1° |
| S | C7 | H9 | 124.9° | 125.6° |
| S | C8 | N2 | 115.7° | 110.6° |
| S | C8 | H10 | 122.2° | 124.7° |
| C8 | N2 | C6 | 109.4° | 115.8° |
| N2 | C8 | H10 | 122.1° | 124.7° |
| H8 | C5 | H7 | 109.5° | 109.4° |
| H3 | C2 | H2 | 109.5° | 109.7° |
| H5 | C3 | H4 | 109.4° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | N | C6 | 179.7° | 180.0° |
| O | C | N | C1 | 0.2° | 0.0° |
| O | C | C6 | C7 | 6.5° | 0.0° |
| O | C | C6 | N2 | 175.4° | 179.7° |
| O | C | N | H | 179.7° | 180.0° |
| C | N | C1 | H | 180.0° | 179.9° |
| C | N | C1 | C2 | 167.3° | 155.0° |
| C | N | C1 | C5 | 71.5° | 85.8° |
| N | C | C6 | C7 | 173.2° | 180.0° |
| N | C | C6 | N2 | 4.9° | 0.3° |
| C | N | C1 | H1 | 47.7° | 34.7° |
| N | C1 | C2 | C5 | 120.9° | 119.8° |
| N | C1 | C2 | H1 | 120.0° | 120.4° |
| N | C1 | C2 | C3 | 66.6° | 172.9° |
| N | C1 | C5 | N1 | 66.5° | 170.5° |
| N | C1 | C5 | H1 | 119.7° | 120.5° |
| C1 | N | C | C6 | 179.9° | 180.0° |
| N | C1 | C5 | H8 | 173.5° | 69.2° |
| N | C1 | C5 | H7 | 53.5° | 50.3° |
| N | C1 | C2 | H3 | 173.0° | 53.0° |
| N | C1 | C2 | H2 | 53.8° | 67.6° |
| C1 | C2 | C3 | H3 | 120.4° | 119.9° |
| C1 | C2 | C3 | H2 | 120.4° | 119.7° |
| C1 | C2 | C3 | C4 | 31.3° | 48.5° |
| C2 | C1 | C5 | N1 | 54.8° | 50.7° |
| C2 | C1 | C5 | H1 | 119.0° | 119.8° |
| C2 | C1 | C5 | H8 | 65.2° | 171.0° |
| C2 | C1 | C5 | H7 | 174.8° | 69.4° |
| C2 | C1 | N | H | 12.6° | 25.1° |
| C1 | C2 | H3 | H2 | 118.7° | 120.6° |
| C1 | C2 | C3 | H5 | 152.4° | 169.0° |
| C1 | C2 | C3 | H4 | 89.7° | 71.3° |
| C2 | C3 | C4 | H5 | 121.0° | 120.3° |
| C2 | C3 | C4 | H4 | 121.0° | 120.0° |
| C2 | C3 | C4 | O1 | 171.1° | 162.9° |
| C2 | C3 | C4 | N1 | 9.7° | 17.1° |
| C3 | C2 | C1 | C5 | 54.2° | 67.4° |
| C3 | C2 | C1 | H1 | 173.3° | 52.4° |
| C3 | C2 | H3 | H2 | 118.7° | 120.2° |
| C2 | C3 | H5 | H4 | 116.9° | 119.8° |
| C3 | C4 | O1 | N1 | 179.2° | 180.0° |
| C3 | C4 | N1 | C5 | 12.8° | 1.9° |
| C3 | C4 | N1 | H6 | 167.1° | 177.7° |
| C4 | C3 | C2 | H3 | 89.1° | 168.4° |
| C4 | C3 | C2 | H2 | 151.8° | 71.2° |
| C4 | C3 | H5 | H4 | 116.9° | 119.5° |
| O1 | C4 | N1 | C5 | 167.9° | 178.1° |
| O1 | C4 | N1 | H6 | 12.1° | 2.3° |
| O1 | C4 | C3 | H5 | 50.0° | 42.6° |
| O1 | C4 | C3 | H4 | 67.9° | 77.1° |
| C4 | N1 | C5 | H6 | 180.0° | 179.7° |
| C4 | N1 | C5 | C1 | 35.9° | 19.1° |
| C4 | N1 | C5 | H8 | 84.1° | 139.4° |
| C4 | N1 | C5 | H7 | 156.0° | 101.0° |
| N1 | C4 | C3 | H5 | 130.7° | 137.5° |
| N1 | C4 | C3 | H4 | 111.3° | 102.9° |
| N1 | C5 | C1 | H8 | 120.0° | 120.3° |
| N1 | C5 | C1 | H7 | 120.0° | 120.2° |
| N1 | C5 | H8 | H7 | 119.9° | 119.6° |
| N1 | C5 | C1 | H1 | 173.8° | 69.0° |
| C1 | C5 | N1 | H6 | 144.0° | 160.6° |
| C1 | C5 | H8 | H7 | 119.9° | 119.4° |
| C5 | C1 | N | H | 108.5° | 94.2° |
| C5 | C1 | C2 | H3 | 66.1° | 172.7° |
| C5 | C1 | C2 | H2 | 174.7° | 52.2° |
| C | C6 | C7 | N2 | 178.2° | 179.7° |
| C | C6 | C7 | S | 177.6° | 179.9° |
| C | C6 | N2 | C8 | 177.8° | 179.9° |
| C | C6 | C7 | H9 | 2.4° | 0.0° |
| C6 | C | N | H | 0.1° | 0.0° |
| C6 | C7 | S | H9 | 180.0° | 179.9° |
| C6 | C7 | S | C8 | 0.4° | 0.1° |
| C7 | C6 | N2 | C8 | 0.5° | 0.2° |
| C7 | S | C8 | N2 | 0.2° | 0.0° |
| S | C7 | C6 | N2 | 0.6° | 0.2° |
| C7 | S | C8 | H10 | 179.8° | 179.9° |
| S | C8 | N2 | H10 | 180.0° | 179.9° |
| S | C8 | N2 | C6 | 0.1° | 0.1° |
| C8 | S | C7 | H9 | 179.6° | 179.8° |
| N2 | C6 | C7 | H9 | 179.4° | 179.7° |
| C6 | N2 | C8 | H10 | 179.9° | 180.0° |
| H6 | N1 | C5 | H8 | 95.9° | 40.3° |
| H6 | N1 | C5 | H7 | 24.0° | 79.4° |
| H8 | C5 | C1 | H1 | 53.8° | 51.3° |
| H7 | C5 | C1 | H1 | 66.1° | 170.8° |
| H | N | C1 | H1 | 132.2° | 145.4° |
| H1 | C1 | C2 | H3 | 52.9° | 67.5° |
| H1 | C1 | C2 | H2 | 66.3° | 172.0° |
| H3 | C2 | C3 | H5 | 32.0° | 71.1° |
| H3 | C2 | C3 | H4 | 149.9° | 48.6° |
| H2 | C2 | C3 | H5 | 87.2° | 49.3° |
| H2 | C2 | C3 | H4 | 30.8° | 169.0° |
