A1AZK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.20Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C5 | sing | 1.37Å | 1.33Å | |
| C5 | N2 | doub | 1.30Å | 1.32Å | |
| C5 | N3 | sing | 1.38Å | 1.32Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| N3 | H11 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 126.7° | 120.0° |
| O1 | C1 | H1 | 116.6° | 120.1° |
| C1 | C2 | C3 | 110.4° | 109.5° |
| C1 | C2 | H2 | 109.3° | 109.5° |
| C1 | C2 | H3 | 109.2° | 109.5° |
| C2 | C1 | H1 | 116.7° | 120.0° |
| C2 | C3 | C4 | 112.9° | 109.5° |
| C3 | C2 | H2 | 109.3° | 109.5° |
| C3 | C2 | H3 | 109.3° | 109.4° |
| C2 | C3 | H4 | 108.6° | 109.4° |
| C2 | C3 | H5 | 108.6° | 109.5° |
| C3 | C4 | N1 | 112.4° | 109.5° |
| C3 | C4 | H7 | 108.7° | 109.5° |
| C3 | C4 | H6 | 108.7° | 109.5° |
| C4 | C3 | H4 | 108.6° | 109.5° |
| C4 | C3 | H5 | 108.6° | 109.5° |
| C4 | N1 | C5 | 126.2° | 120.0° |
| N1 | C4 | H7 | 108.7° | 109.5° |
| N1 | C4 | H6 | 108.8° | 109.5° |
| C4 | N1 | H8 | 116.9° | 120.0° |
| N1 | C5 | N2 | 119.7° | 120.0° |
| N1 | C5 | N3 | 120.7° | 120.0° |
| C5 | N1 | H8 | 116.9° | 120.0° |
| N2 | C5 | N3 | 119.5° | 120.0° |
| C5 | N2 | H9 | 112.0° | 120.0° |
| C5 | N3 | H12 | 120.0° | 120.0° |
| C5 | N3 | H11 | 120.0° | 120.0° |
| H7 | C4 | H6 | 109.5° | 109.5° |
| H12 | N3 | H11 | 120.0° | 120.0° |
| H2 | C2 | H3 | 109.4° | 109.5° |
| H4 | C3 | H5 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H1 | 180.0° | 180.0° |
| O1 | C1 | C2 | C3 | 111.5° | 125.0° |
| O1 | C1 | C2 | H2 | 128.4° | 115.0° |
| O1 | C1 | C2 | H3 | 8.7° | 5.0° |
| C1 | C2 | C3 | H2 | 120.2° | 120.0° |
| C1 | C2 | C3 | H3 | 120.1° | 120.0° |
| C1 | C2 | C3 | C4 | 56.9° | 180.0° |
| C1 | C2 | H2 | H3 | 119.6° | 120.0° |
| C1 | C2 | C3 | H4 | 177.4° | 60.0° |
| C1 | C2 | C3 | H5 | 63.7° | 60.0° |
| C2 | C3 | C4 | H4 | 120.5° | 120.0° |
| C2 | C3 | C4 | H5 | 120.5° | 120.0° |
| C2 | C3 | C4 | N1 | 142.9° | 180.0° |
| C2 | C3 | C4 | H7 | 22.5° | 60.0° |
| C2 | C3 | C4 | H6 | 96.7° | 60.0° |
| C3 | C2 | H2 | H3 | 119.6° | 120.0° |
| C3 | C2 | C1 | H1 | 68.6° | 55.0° |
| C2 | C3 | H4 | H5 | 118.4° | 120.0° |
| C3 | C4 | N1 | H7 | 120.4° | 120.0° |
| C3 | C4 | N1 | H6 | 120.4° | 120.0° |
| C3 | C4 | N1 | C5 | 60.9° | 180.0° |
| C3 | C4 | H7 | H6 | 118.6° | 120.0° |
| C3 | C4 | N1 | H8 | 119.1° | 0.0° |
| C4 | C3 | C2 | H2 | 63.3° | 60.0° |
| C4 | C3 | C2 | H3 | 177.0° | 60.0° |
| C4 | C3 | H4 | H5 | 118.4° | 120.0° |
| C4 | N1 | C5 | H8 | 180.0° | 180.0° |
| C4 | N1 | C5 | N2 | 176.9° | 180.0° |
| C4 | N1 | C5 | N3 | 4.0° | 0.0° |
| N1 | C4 | H7 | H6 | 118.7° | 120.0° |
| N1 | C4 | C3 | H4 | 96.6° | 60.0° |
| N1 | C4 | C3 | H5 | 22.3° | 60.0° |
| N1 | C5 | N2 | N3 | 179.1° | 180.0° |
| C5 | N1 | C4 | H7 | 178.6° | 60.0° |
| C5 | N1 | C4 | H6 | 59.5° | 60.0° |
| N1 | C5 | N3 | H12 | 179.1° | 180.0° |
| N1 | C5 | N3 | H11 | 0.9° | 0.0° |
| N1 | C5 | N2 | H9 | 179.2° | 180.0° |
| N2 | C5 | N1 | H8 | 3.2° | 0.0° |
| N2 | C5 | N3 | H12 | 0.0° | 0.0° |
| N2 | C5 | N3 | H11 | 180.0° | 180.0° |
| N3 | C5 | N1 | H8 | 176.0° | 180.0° |
| C5 | N3 | H12 | H11 | 180.0° | 180.0° |
| N3 | C5 | N2 | H9 | 0.0° | 0.0° |
| H7 | C4 | N1 | H8 | 1.4° | 120.0° |
| H7 | C4 | C3 | H4 | 143.0° | 180.0° |
| H7 | C4 | C3 | H5 | 98.1° | 60.0° |
| H6 | C4 | N1 | H8 | 120.5° | 120.0° |
| H6 | C4 | C3 | H4 | 23.9° | 60.0° |
| H6 | C4 | C3 | H5 | 142.8° | NaN° |
| H2 | C2 | C1 | H1 | 51.6° | 65.0° |
| H2 | C2 | C3 | H4 | 57.2° | 60.0° |
| H2 | C2 | C3 | H5 | 176.2° | 180.0° |
| H3 | C2 | C1 | H1 | 171.3° | 175.0° |
| H3 | C2 | C3 | H4 | 62.5° | 180.0° |
| H3 | C2 | C3 | H5 | 56.5° | 60.0° |
