XAP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.44Å | 1.45Å | |
| N1 | HN11 | sing | 1.01Å | 1.00Å | |
| N1 | HN12 | sing | 1.01Å | 1.00Å | |
| C1 | C2 | sing | 1.52Å | 1.53Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.52Å | 1.51Å | |
| C2 | H21 | sing | 1.10Å | 1.10Å | |
| C2 | H22 | sing | 1.10Å | 1.10Å | |
| C3 | O1 | sing | 1.42Å | 1.39Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| O1 | N2 | sing | 1.45Å | 1.46Å | |
| N2 | HN21 | sing | 1.02Å | 1.00Å | |
| N2 | HN22 | sing | 1.02Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | HN11 | 109.5° | 119.2° |
| C1 | N1 | HN12 | 109.5° | 119.2° |
| N1 | C1 | C2 | 109.7° | 112.5° |
| N1 | C1 | H11 | 109.4° | 106.9° |
| N1 | C1 | H12 | 109.3° | 107.9° |
| HN11 | N1 | HN12 | 109.4° | 120.3° |
| C2 | C1 | H11 | 109.4° | 110.1° |
| C2 | C1 | H12 | 109.3° | 111.1° |
| C1 | C2 | C3 | 108.1° | 112.8° |
| C1 | C2 | H21 | 109.9° | 109.3° |
| C1 | C2 | H22 | 110.3° | 110.4° |
| H11 | C1 | H12 | 109.6° | 108.2° |
| C3 | C2 | H21 | 109.9° | 108.9° |
| C3 | C2 | H22 | 110.3° | 109.4° |
| C2 | C3 | O1 | 103.0° | 108.7° |
| C2 | C3 | H31 | 111.7° | 111.3° |
| C2 | C3 | H32 | 113.0° | 110.9° |
| H21 | C2 | H22 | 108.4° | 105.9° |
| O1 | C3 | H31 | 111.7° | 108.3° |
| O1 | C3 | H32 | 113.1° | 108.5° |
| C3 | O1 | N2 | 116.4° | 107.4° |
| H31 | C3 | H32 | 104.6° | 109.1° |
| O1 | N2 | HN21 | 109.5° | 100.5° |
| O1 | N2 | HN22 | 109.5° | 100.5° |
| HN21 | N2 | HN22 | 109.4° | 106.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | HN11 | HN12 | 120.0° | 166.4° |
| N1 | C1 | C2 | H11 | 120.0° | 119.2° |
| N1 | C1 | C2 | H12 | 119.9° | 121.0° |
| N1 | C1 | H11 | H12 | 119.9° | 116.0° |
| N1 | C1 | C2 | C3 | 122.8° | 179.1° |
| N1 | C1 | C2 | H21 | 2.8° | 57.9° |
| N1 | C1 | C2 | H22 | 116.7° | 58.2° |
| HN11 | N1 | C1 | C2 | 143.5° | 15.7° |
| HN11 | N1 | C1 | H11 | 23.5° | 136.6° |
| HN11 | N1 | C1 | H12 | 96.6° | 107.2° |
| HN12 | N1 | C1 | C2 | 23.5° | 177.8° |
| HN12 | N1 | C1 | H11 | 96.5° | 56.8° |
| HN12 | N1 | C1 | H12 | 143.5° | 59.4° |
| C2 | C1 | H11 | H12 | 119.9° | 121.6° |
| C1 | C2 | C3 | H21 | 120.0° | 121.5° |
| C1 | C2 | C3 | H22 | 120.6° | 123.3° |
| C1 | C2 | H21 | H22 | 120.6° | 118.9° |
| C1 | C2 | C3 | O1 | 68.5° | 179.3° |
| C1 | C2 | C3 | H31 | 171.5° | 60.0° |
| C1 | C2 | C3 | H32 | 53.8° | 61.5° |
| H11 | C1 | C2 | C3 | 117.2° | 60.0° |
| H11 | C1 | C2 | H21 | 122.8° | 61.3° |
| H11 | C1 | C2 | H22 | 3.3° | 177.3° |
| H12 | C1 | C2 | C3 | 2.9° | 59.8° |
| H12 | C1 | C2 | H21 | 117.1° | 178.9° |
| H12 | C1 | C2 | H22 | 123.4° | 62.8° |
| C3 | C2 | H21 | H22 | 120.6° | 117.5° |
| C2 | C3 | O1 | H31 | 120.0° | 121.0° |
| C2 | C3 | O1 | H32 | 122.3° | 120.7° |
| C2 | C3 | H31 | H32 | 122.6° | 122.6° |
| C2 | C3 | O1 | N2 | 39.1° | 180.0° |
| H21 | C2 | C3 | O1 | 51.5° | 59.3° |
| H21 | C2 | C3 | H31 | 68.5° | 178.5° |
| H21 | C2 | C3 | H32 | 173.9° | 60.0° |
| H22 | C2 | C3 | O1 | 170.9° | 56.0° |
| H22 | C2 | C3 | H31 | 50.9° | 63.2° |
| H22 | C2 | C3 | H32 | 66.7° | 175.2° |
| O1 | C3 | H31 | H32 | 122.6° | 117.9° |
| C3 | O1 | N2 | HN21 | 78.3° | 125.7° |
| C3 | O1 | N2 | HN22 | 41.7° | 125.1° |
| H31 | C3 | O1 | N2 | 81.0° | 58.9° |
| H32 | C3 | O1 | N2 | 161.4° | 59.3° |
| O1 | N2 | HN21 | HN22 | 120.0° | 104.4° |
