A1EJ3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C4 | sing | 1.51Å | 1.49Å | |
| C7 | O2 | doub | 1.21Å | 1.20Å | |
| N3 | C4 | sing | 1.46Å | 1.46Å | |
| N3 | C5 | sing | 1.35Å | 1.33Å | |
| C6 | C5 | sing | 1.51Å | 1.50Å | |
| C5 | O1 | doub | 1.21Å | 1.23Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| N3 | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C7 | O2 | 125.4° | 120.0° |
| C7 | C4 | N3 | 111.9° | 109.5° |
| C7 | C4 | H1 | 108.9° | 109.5° |
| C7 | C4 | H2 | 108.9° | 109.4° |
| C4 | C7 | H6 | 117.3° | 120.0° |
| O2 | C7 | H6 | 117.3° | 120.0° |
| C4 | N3 | C5 | 122.1° | 120.0° |
| N3 | C4 | H1 | 108.8° | 109.5° |
| N3 | C4 | H2 | 108.9° | 109.5° |
| C4 | N3 | H7 | 118.9° | 120.0° |
| N3 | C5 | C6 | 116.2° | 120.0° |
| N3 | C5 | O1 | 121.9° | 120.0° |
| C5 | N3 | H7 | 118.9° | 120.0° |
| C6 | C5 | O1 | 122.0° | 120.0° |
| C5 | C6 | H3 | 109.5° | 109.4° |
| C5 | C6 | H4 | 109.5° | 109.5° |
| C5 | C6 | H5 | 109.5° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.4° |
| H3 | C6 | H4 | 109.4° | 109.5° |
| H3 | C6 | H5 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C7 | O2 | H6 | 180.0° | 180.0° |
| C7 | C4 | N3 | H1 | 120.4° | 120.0° |
| C7 | C4 | N3 | H2 | 120.4° | 120.0° |
| C7 | C4 | N3 | C5 | 167.8° | 180.0° |
| C7 | C4 | H1 | H2 | 118.9° | 119.9° |
| C7 | C4 | N3 | H7 | 12.2° | 0.0° |
| O2 | C7 | C4 | N3 | 39.2° | 125.0° |
| O2 | C7 | C4 | H1 | 81.2° | 114.9° |
| O2 | C7 | C4 | H2 | 159.6° | 5.0° |
| C4 | N3 | C5 | H7 | 180.0° | 180.0° |
| C4 | N3 | C5 | C6 | 179.5° | 180.0° |
| C4 | N3 | C5 | O1 | 0.3° | 0.0° |
| N3 | C4 | H1 | H2 | 118.9° | 120.0° |
| N3 | C4 | C7 | H6 | 140.8° | 55.0° |
| N3 | C5 | C6 | O1 | 179.9° | 180.0° |
| C5 | N3 | C4 | H1 | 47.4° | 60.0° |
| C5 | N3 | C4 | H2 | 71.8° | 60.0° |
| N3 | C5 | C6 | H3 | 179.9° | 180.0° |
| N3 | C5 | C6 | H4 | 59.9° | 60.0° |
| N3 | C5 | C6 | H5 | 60.1° | 60.0° |
| C5 | C6 | H3 | H4 | 120.0° | 120.0° |
| C5 | C6 | H3 | H5 | 120.0° | 120.0° |
| C5 | C6 | H4 | H5 | 120.0° | 120.0° |
| C6 | C5 | N3 | H7 | 0.4° | 0.0° |
| O1 | C5 | C6 | H3 | 0.0° | 0.0° |
| O1 | C5 | C6 | H4 | 120.0° | 120.0° |
| O1 | C5 | C6 | H5 | 120.0° | 120.0° |
| O1 | C5 | N3 | H7 | 179.7° | 180.0° |
| H1 | C4 | C7 | H6 | 98.8° | 65.0° |
| H1 | C4 | N3 | H7 | 132.6° | 120.0° |
| H2 | C4 | C7 | H6 | 20.4° | 175.1° |
| H2 | C4 | N3 | H7 | 108.2° | 120.0° |
| H3 | C6 | H4 | H5 | 120.0° | 120.0° |
