A1EJ0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | sing | 1.51Å | 1.50Å | |
| O1 | C1 | doub | 1.21Å | 1.20Å | |
| C7 | O7 | doub | 1.21Å | 1.23Å | |
| C7 | N2 | sing | 1.35Å | 1.34Å | |
| N2 | C2 | sing | 1.47Å | 1.46Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | O5 | sing | 1.43Å | 1.43Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H83 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C7 | O7 | 121.9° | 120.0° |
| C8 | C7 | N2 | 115.8° | 120.0° |
| C7 | C8 | H81 | 109.5° | 109.5° |
| C7 | C8 | H82 | 109.5° | 109.5° |
| C7 | C8 | H83 | 109.5° | 109.5° |
| O1 | C1 | C2 | 124.2° | 120.0° |
| O1 | C1 | H1 | 117.9° | 120.0° |
| O7 | C7 | N2 | 122.3° | 120.1° |
| C7 | N2 | C2 | 123.4° | 119.9° |
| C7 | N2 | HN2 | 118.3° | 120.1° |
| N2 | C2 | C1 | 109.2° | 109.5° |
| N2 | C2 | C3 | 110.7° | 109.4° |
| N2 | C2 | H2 | 109.0° | 109.4° |
| C2 | N2 | HN2 | 118.3° | 120.0° |
| C1 | C2 | C3 | 111.4° | 109.5° |
| C2 | C1 | H1 | 117.9° | 120.0° |
| C1 | C2 | H2 | 108.5° | 109.5° |
| C2 | C3 | O3 | 108.2° | 109.5° |
| C2 | C3 | C4 | 113.5° | 109.5° |
| C3 | C2 | H2 | 108.0° | 109.5° |
| C2 | C3 | H3 | 108.1° | 109.4° |
| O3 | C3 | C4 | 109.2° | 109.5° |
| O3 | C3 | H3 | 109.6° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.1° |
| C3 | C4 | O4 | 109.7° | 109.5° |
| C3 | C4 | C5 | 113.1° | 109.5° |
| C3 | C4 | H4 | 108.1° | 109.5° |
| C4 | C3 | H3 | 108.2° | 109.5° |
| O4 | C4 | C5 | 108.4° | 109.5° |
| O4 | C4 | H4 | 109.4° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C4 | C5 | C6 | 112.8° | 109.5° |
| C4 | C5 | O5 | 108.5° | 109.5° |
| C5 | C4 | H4 | 108.1° | 109.4° |
| C4 | C5 | H5 | 108.3° | 109.4° |
| C6 | C5 | O5 | 109.0° | 109.5° |
| C5 | C6 | O6 | 111.3° | 109.5° |
| C6 | C5 | H5 | 108.4° | 109.5° |
| C5 | C6 | H61 | 109.0° | 109.5° |
| C5 | C6 | H62 | 109.0° | 109.5° |
| O5 | C5 | H5 | 109.7° | 109.5° |
| C5 | O5 | HO5 | 109.5° | 114.0° |
| O6 | C6 | H61 | 109.0° | 109.5° |
| O6 | C6 | H62 | 109.0° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.5° | 109.4° |
| H81 | C8 | H82 | 109.4° | 109.5° |
| H81 | C8 | H83 | 109.5° | 109.5° |
| H82 | C8 | H83 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C7 | O7 | N2 | 179.6° | 180.0° |
| C8 | C7 | N2 | C2 | 179.1° | 180.0° |
| C7 | C8 | H81 | H82 | 120.0° | 120.0° |
| C7 | C8 | H81 | H83 | 120.0° | 120.0° |
| C7 | C8 | H82 | H83 | 120.0° | 120.0° |
| C8 | C7 | N2 | HN2 | 0.9° | 0.0° |
| O1 | C1 | C2 | N2 | 5.5° | 0.0° |
| O1 | C1 | C2 | H1 | 180.0° | 179.9° |
| O1 | C1 | C2 | C3 | 117.1° | 120.0° |
| O1 | C1 | C2 | H2 | 124.2° | 120.0° |
| O7 | C7 | N2 | C2 | 1.3° | 0.0° |
| O7 | C7 | C8 | H81 | 0.0° | 0.0° |
| O7 | C7 | C8 | H82 | 120.0° | 120.0° |
| O7 | C7 | C8 | H83 | 120.0° | 120.0° |
| O7 | C7 | N2 | HN2 | 178.7° | 180.0° |
| C7 | N2 | C2 | HN2 | 180.0° | 180.0° |
| C7 | N2 | C2 | C1 | 164.9° | 85.0° |
| C7 | N2 | C2 | C3 | 72.1° | 155.0° |
| N2 | C7 | C8 | H81 | 179.6° | 180.0° |
| N2 | C7 | C8 | H82 | 60.4° | 60.0° |
| N2 | C7 | C8 | H83 | 59.6° | 60.0° |
| C7 | N2 | C2 | H2 | 46.6° | 35.0° |
| N2 | C2 | C1 | C3 | 122.6° | 120.0° |
| N2 | C2 | C1 | H2 | 118.6° | 120.0° |
| N2 | C2 | C3 | H2 | 119.3° | 119.9° |
| N2 | C2 | C3 | O3 | 179.5° | 60.0° |
| N2 | C2 | C3 | C4 | 59.2° | 60.0° |
| N2 | C2 | C1 | H1 | 174.5° | 180.0° |
| N2 | C2 | C3 | H3 | 60.9° | 180.0° |
| C1 | C2 | C3 | H2 | 119.0° | 120.1° |
| C1 | C2 | C3 | O3 | 58.8° | 60.0° |
| C1 | C2 | C3 | C4 | 62.5° | 180.0° |
| C1 | C2 | C3 | H3 | 177.4° | 60.0° |
| C1 | C2 | N2 | HN2 | 15.1° | 95.0° |
| C2 | C3 | O3 | C4 | 124.0° | 120.0° |
| C2 | C3 | O3 | H3 | 117.7° | 120.0° |
| C2 | C3 | C4 | H3 | 120.0° | 119.9° |
| C2 | C3 | C4 | O4 | 85.6° | 55.0° |
| C2 | C3 | C4 | C5 | 153.2° | 175.0° |
| C2 | C3 | C4 | H4 | 33.6° | 65.0° |
| C3 | C2 | C1 | H1 | 62.9° | 60.0° |
| C3 | C2 | N2 | HN2 | 107.9° | 25.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| O3 | C3 | C4 | H3 | 119.2° | 120.0° |
| O3 | C3 | C4 | O4 | 35.2° | 65.0° |
| O3 | C3 | C4 | C5 | 86.0° | 55.0° |
| O3 | C3 | C4 | H4 | 154.4° | 175.0° |
| O3 | C3 | C2 | H2 | 60.2° | 179.9° |
| C3 | C4 | O4 | C5 | 124.0° | 120.0° |
| C3 | C4 | O4 | H4 | 118.4° | 120.0° |
| C3 | C4 | C5 | H4 | 119.6° | 120.0° |
| C3 | C4 | C5 | C6 | 58.4° | NaN° |
| C3 | C4 | C5 | O5 | 179.3° | 60.0° |
| C3 | C4 | C5 | H5 | 61.6° | 60.0° |
| C4 | C3 | C2 | H2 | 178.4° | 60.0° |
| C4 | C3 | O3 | HO3 | 56.0° | 60.0° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
| O4 | C4 | C5 | H4 | 118.5° | 120.0° |
| O4 | C4 | C5 | C6 | 63.5° | 60.0° |
| O4 | C4 | C5 | O5 | 57.4° | 180.0° |
| O4 | C4 | C5 | H5 | 176.5° | 60.0° |
| O4 | C4 | C3 | H3 | 154.4° | 174.9° |
| C4 | C5 | C6 | O5 | 120.7° | 120.0° |
| C4 | C5 | C6 | H5 | 119.9° | 120.0° |
| C4 | C5 | O5 | H5 | 118.1° | 120.0° |
| C4 | C5 | C6 | O6 | 45.4° | 175.0° |
| C4 | C5 | C6 | H61 | 165.7° | 55.0° |
| C4 | C5 | C6 | H62 | 74.9° | 65.0° |
| C5 | C4 | C3 | H3 | 33.2° | 65.0° |
| C4 | C5 | O5 | HO5 | 180.0° | 60.0° |
| C5 | C4 | O4 | HO4 | 56.0° | 60.0° |
| C6 | C5 | O5 | H5 | 118.6° | 120.0° |
| C5 | C6 | O6 | H61 | 120.3° | 120.1° |
| C5 | C6 | O6 | H62 | 120.3° | 120.0° |
| C6 | C5 | C4 | H4 | 178.0° | 60.0° |
| C5 | C6 | H61 | H62 | 119.2° | 120.0° |
| C6 | C5 | O5 | HO5 | 56.7° | 60.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O5 | C5 | C6 | O6 | 75.3° | 65.0° |
| O5 | C5 | C4 | H4 | 61.1° | 60.0° |
| O5 | C5 | C6 | H61 | 45.0° | 174.9° |
| O5 | C5 | C6 | H62 | 164.4° | 55.0° |
| O6 | C6 | C5 | H5 | 165.3° | 55.0° |
| O6 | C6 | H61 | H62 | 119.1° | 120.0° |
| H4 | C4 | C5 | H5 | 58.0° | 180.0° |
| H4 | C4 | C3 | H3 | 86.4° | 54.9° |
| H4 | C4 | O4 | HO4 | 61.6° | 180.0° |
| H1 | C1 | C2 | H2 | 55.9° | 60.0° |
| H5 | C5 | C6 | H61 | 74.4° | 65.0° |
| H5 | C5 | C6 | H62 | 45.0° | 175.0° |
| H5 | C5 | O5 | HO5 | 61.9° | 180.0° |
| H61 | C6 | O6 | HO6 | 59.7° | 59.9° |
| H62 | C6 | O6 | HO6 | 59.7° | 60.1° |
| H81 | C8 | H82 | H83 | 120.0° | 120.0° |
| H2 | C2 | C3 | H3 | 58.4° | 60.0° |
| H2 | C2 | N2 | HN2 | 133.4° | 145.0° |
| H3 | C3 | O3 | HO3 | 62.3° | 179.9° |
