A1AP9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.23Å | |
| C | N | sing | 1.34Å | 1.38Å | |
| N | C1 | sing | 1.35Å | 1.36Å | |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C5 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C6 | sing | 1.47Å | 1.46Å | |
| C6 | C2 | sing | 1.53Å | 1.50Å | |
| N2 | C2 | sing | 1.47Å | 1.46Å | |
| C | N2 | sing | 1.35Å | 1.35Å | |
| N1 | H7 | sing | 1.01Å | 1.00Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | N | 125.4° | 123.8° |
| O | C | N2 | 126.9° | 123.8° |
| C | N | C1 | 111.7° | 111.6° |
| N | C | N2 | 107.6° | 112.4° |
| C | N | H | 124.1° | 124.2° |
| N | C1 | O1 | 126.3° | 127.2° |
| N | C1 | C2 | 107.3° | 105.5° |
| C1 | N | H | 124.1° | 124.2° |
| O1 | C1 | C2 | 126.3° | 127.3° |
| C1 | C2 | C3 | 111.1° | 110.5° |
| C1 | C2 | C6 | 111.1° | 110.5° |
| C1 | C2 | N2 | 100.5° | 104.1° |
| C2 | C3 | C4 | 112.5° | 109.2° |
| C3 | C2 | C6 | 106.4° | 110.5° |
| C3 | C2 | N2 | 111.8° | 110.5° |
| C2 | C3 | H1 | 108.7° | 109.5° |
| C2 | C3 | H2 | 108.7° | 109.5° |
| C3 | C4 | C5 | 109.8° | 109.2° |
| C3 | C4 | H3 | 109.4° | 109.5° |
| C3 | C4 | H4 | 109.4° | 109.6° |
| C4 | C3 | H1 | 108.7° | 109.5° |
| C4 | C3 | H2 | 108.7° | 109.5° |
| C4 | C5 | N1 | 111.6° | 109.6° |
| C5 | C4 | H3 | 109.4° | 109.5° |
| C5 | C4 | H4 | 109.4° | 109.5° |
| C4 | C5 | H5 | 108.9° | 109.5° |
| C4 | C5 | H6 | 108.9° | 109.4° |
| C5 | N1 | C6 | 110.7° | 111.2° |
| C5 | N1 | H7 | 109.2° | 111.0° |
| N1 | C5 | H5 | 108.9° | 109.5° |
| N1 | C5 | H6 | 109.0° | 109.4° |
| N1 | C6 | C2 | 106.5° | 109.6° |
| C6 | N1 | H7 | 109.2° | 111.0° |
| N1 | C6 | H8 | 110.2° | 109.5° |
| N1 | C6 | H9 | 110.2° | 109.5° |
| C6 | C2 | N2 | 115.9° | 110.6° |
| C2 | C6 | H8 | 110.2° | 109.4° |
| C2 | C6 | H9 | 110.2° | 109.4° |
| C2 | N2 | C | 112.6° | 106.4° |
| C2 | N2 | H10 | 123.7° | 126.8° |
| C | N2 | H10 | 123.7° | 126.8° |
| H3 | C4 | H4 | 109.4° | 109.5° |
| H5 | C5 | H6 | 109.5° | 109.4° |
| H8 | C6 | H9 | 109.5° | 109.4° |
| H1 | C3 | H2 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | N | N2 | 180.0° | 180.0° |
| O | C | N | C1 | 179.8° | 180.0° |
| O | C | N2 | C2 | 177.1° | 180.0° |
| O | C | N | H | 0.2° | 0.0° |
| O | C | N2 | H10 | 2.9° | 0.1° |
| C | N | C1 | H | 180.0° | 180.0° |
| C | N | C1 | O1 | 173.6° | 180.0° |
| C | N | C1 | C2 | 2.9° | 0.0° |
| N | C | N2 | C2 | 3.0° | 0.0° |
| N | C | N2 | H10 | 177.1° | 179.9° |
| N | C1 | O1 | C2 | 176.0° | 180.0° |
| N | C1 | C2 | C3 | 114.2° | 118.6° |
| N | C1 | C2 | C6 | 127.5° | 118.7° |
| N | C1 | C2 | N2 | 4.3° | 0.0° |
| C1 | N | C | N2 | 0.1° | 0.0° |
| O1 | C1 | C2 | C3 | 69.2° | 61.4° |
| O1 | C1 | C2 | C6 | 49.1° | 61.3° |
| O1 | C1 | C2 | N2 | 172.3° | 180.0° |
| O1 | C1 | N | H | 6.4° | 0.0° |
| C1 | C2 | C3 | C6 | 121.1° | 122.6° |
| C1 | C2 | C3 | N2 | 111.4° | 114.7° |
| C1 | C2 | C3 | C4 | 179.7° | 179.0° |
| C1 | C2 | C6 | N1 | 172.8° | 179.5° |
| C1 | C2 | C6 | N2 | 113.9° | 114.8° |
| C1 | C2 | N2 | C | 4.4° | 0.0° |
| C1 | C2 | C6 | H8 | 67.7° | 60.4° |
| C1 | C2 | C6 | H9 | 53.3° | 59.5° |
| C2 | C1 | N | H | 177.1° | 180.0° |
| C1 | C2 | C3 | H1 | 59.2° | 61.1° |
| C1 | C2 | C3 | H2 | 59.9° | 59.1° |
| C1 | C2 | N2 | H10 | 175.6° | 179.9° |
| C2 | C3 | C4 | H1 | 120.4° | 119.9° |
| C2 | C3 | C4 | H2 | 120.4° | 119.9° |
| C2 | C3 | C4 | C5 | 49.9° | 56.8° |
| C3 | C2 | C6 | N1 | 66.1° | 57.9° |
| C3 | C2 | C6 | N2 | 125.1° | 122.6° |
| C3 | C2 | N2 | C | 113.5° | 118.6° |
| C2 | C3 | C4 | H3 | 169.9° | 63.1° |
| C2 | C3 | C4 | H4 | 70.2° | 176.8° |
| C3 | C2 | C6 | H8 | 53.4° | 62.2° |
| C3 | C2 | C6 | H9 | 174.4° | 177.9° |
| C2 | C3 | H1 | H2 | 118.6° | 120.2° |
| C3 | C2 | N2 | H10 | 66.5° | 61.4° |
| C3 | C4 | C5 | H3 | 120.1° | 119.9° |
| C3 | C4 | C5 | H4 | 120.1° | 120.0° |
| C3 | C4 | C5 | N1 | 49.3° | 59.6° |
| C4 | C3 | C2 | C6 | 58.6° | 56.4° |
| C4 | C3 | C2 | N2 | 69.0° | 66.3° |
| C3 | C4 | H3 | H4 | 119.9° | 120.2° |
| C3 | C4 | C5 | H5 | 71.0° | 179.7° |
| C3 | C4 | C5 | H6 | 169.6° | 60.4° |
| C4 | C3 | H1 | H2 | 118.7° | 120.1° |
| C4 | C5 | N1 | H5 | 120.3° | 120.1° |
| C4 | C5 | N1 | H6 | 120.3° | 120.0° |
| C4 | C5 | N1 | C6 | 60.7° | 62.2° |
| C4 | C5 | N1 | H7 | 179.1° | 173.8° |
| C5 | C4 | H3 | H4 | 119.8° | 120.1° |
| C4 | C5 | H5 | H6 | 119.0° | 119.9° |
| C5 | C4 | C3 | H1 | 70.6° | 176.7° |
| C5 | C4 | C3 | H2 | 170.3° | 63.1° |
| C5 | N1 | C6 | H7 | 120.2° | 124.1° |
| C5 | N1 | C6 | C2 | 69.1° | 60.9° |
| N1 | C5 | C4 | H3 | 169.4° | 60.3° |
| N1 | C5 | C4 | H4 | 70.8° | 179.6° |
| N1 | C5 | H5 | H6 | 119.1° | 119.9° |
| C5 | N1 | C6 | H8 | 50.4° | 59.2° |
| C5 | N1 | C6 | H9 | 171.4° | 179.2° |
| N1 | C6 | C2 | H8 | 119.5° | 120.1° |
| N1 | C6 | C2 | H9 | 119.5° | 120.0° |
| N1 | C6 | C2 | N2 | 59.0° | 64.8° |
| C6 | N1 | C5 | H5 | 59.6° | 177.8° |
| C6 | N1 | C5 | H6 | 179.0° | 57.9° |
| N1 | C6 | H8 | H9 | 121.4° | 120.0° |
| C6 | C2 | N2 | C | 124.2° | 118.7° |
| C2 | C6 | N1 | H7 | 170.7° | 175.1° |
| C2 | C6 | H8 | H9 | 121.4° | 119.9° |
| C6 | C2 | C3 | H1 | 61.9° | 176.3° |
| C6 | C2 | C3 | H2 | 179.0° | 63.5° |
| C6 | C2 | N2 | H10 | 55.8° | 61.2° |
| C2 | N2 | C | H10 | 180.0° | 179.9° |
| N2 | C2 | C6 | H8 | 178.5° | 175.1° |
| N2 | C2 | C6 | H9 | 60.6° | 55.2° |
| N2 | C2 | C3 | H1 | 170.6° | 53.6° |
| N2 | C2 | C3 | H2 | 51.5° | 173.8° |
| N2 | C | N | H | 179.8° | 180.0° |
| H7 | N1 | C5 | H5 | 60.6° | 53.7° |
| H7 | N1 | C5 | H6 | 58.8° | 66.2° |
| H7 | N1 | C6 | H8 | 69.8° | 64.9° |
| H7 | N1 | C6 | H9 | 51.2° | 55.1° |
| H3 | C4 | C5 | H5 | 49.1° | 59.7° |
| H3 | C4 | C5 | H6 | 70.3° | 179.6° |
| H3 | C4 | C3 | H1 | 49.5° | 56.8° |
| H3 | C4 | C3 | H2 | 69.6° | 177.0° |
| H4 | C4 | C5 | H5 | 168.9° | 60.3° |
| H4 | C4 | C5 | H6 | 49.6° | 59.6° |
| H4 | C4 | C3 | H1 | 169.4° | 63.3° |
| H4 | C4 | C3 | H2 | 50.3° | 56.8° |
