A1EAI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C6 | doub | 1.21Å | 1.26Å | |
| O2 | C6 | sing | 1.34Å | 1.26Å | |
| C6 | C5 | sing | 1.51Å | 1.52Å | |
| C5 | C3 | sing | 1.52Å | 1.51Å | |
| C5 | N1 | sing | 1.48Å | 1.49Å | |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| C3 | C2 | doub | 1.31Å | 1.33Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| N1 | C4 | sing | 1.48Å | 1.49Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| N1 | H4 | sing | 1.01Å | 1.00Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| O2 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C6 | O2 | 121.9° | 120.0° |
| O1 | C6 | C5 | 116.9° | 120.0° |
| O2 | C6 | C5 | 121.1° | 120.0° |
| C6 | O2 | H10 | 109.5° | 117.0° |
| C6 | C5 | C3 | 122.8° | 113.5° |
| C6 | C5 | N1 | 119.5° | 113.5° |
| C6 | C5 | H3 | 109.2° | 112.8° |
| C3 | C5 | N1 | 84.0° | 87.7° |
| C5 | C3 | C2 | 142.4° | 137.6° |
| C5 | C3 | C4 | 81.1° | 84.8° |
| C3 | C5 | H3 | 109.3° | 113.5° |
| C5 | N1 | C4 | 83.2° | 87.5° |
| N1 | C5 | H3 | 109.6° | 113.5° |
| C5 | N1 | H4 | 115.6° | 111.0° |
| C1 | C2 | C3 | 126.2° | 120.0° |
| C2 | C1 | H6 | 109.5° | 109.5° |
| C2 | C1 | H7 | 109.5° | 109.4° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C1 | C2 | H9 | 116.9° | 120.0° |
| C2 | C3 | C4 | 136.3° | 137.6° |
| C3 | C2 | H9 | 116.9° | 120.0° |
| C3 | C4 | N1 | 83.8° | 87.7° |
| C3 | C4 | H1 | 115.5° | 113.6° |
| C3 | C4 | H2 | 115.4° | 113.5° |
| N1 | C4 | H1 | 115.5° | 113.6° |
| N1 | C4 | H2 | 115.5° | 113.5° |
| C4 | N1 | H4 | 115.6° | 110.9° |
| H1 | C4 | H2 | 109.4° | 112.7° |
| H6 | C1 | H7 | 109.5° | 109.4° |
| H6 | C1 | H8 | 109.4° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C6 | O2 | C5 | 176.2° | 179.9° |
| O1 | C6 | C5 | C3 | 58.7° | 100.0° |
| O1 | C6 | C5 | N1 | 161.6° | 1.9° |
| O1 | C6 | C5 | H3 | 71.1° | 129.1° |
| O1 | C6 | O2 | H10 | 0.0° | 0.1° |
| O2 | C6 | C5 | C3 | 124.8° | 80.0° |
| O2 | C6 | C5 | N1 | 22.0° | 178.1° |
| O2 | C6 | C5 | H3 | 105.4° | 51.0° |
| C6 | C5 | C3 | N1 | 121.5° | 114.7° |
| C6 | C5 | C3 | H3 | 129.8° | 130.6° |
| C6 | C5 | N1 | H3 | 127.1° | 130.6° |
| C6 | C5 | C3 | C2 | 14.9° | 39.6° |
| C6 | C5 | C3 | C4 | 159.5° | 140.4° |
| C6 | C5 | N1 | C4 | 163.4° | 141.1° |
| C6 | C5 | N1 | H4 | 81.4° | 107.4° |
| C5 | C6 | O2 | H10 | 176.2° | 180.0° |
| C3 | C5 | N1 | H3 | 108.4° | 114.7° |
| C5 | C3 | C2 | C1 | 0.9° | 0.1° |
| C5 | C3 | C2 | C4 | 172.0° | 179.9° |
| C3 | C5 | N1 | C4 | 38.9° | 26.4° |
| C5 | C3 | C4 | H1 | 153.4° | 89.1° |
| C5 | C3 | C4 | H2 | 77.2° | 140.4° |
| C3 | C5 | N1 | H4 | 154.0° | 137.9° |
| C5 | C3 | C2 | H9 | 179.1° | 180.0° |
| N1 | C5 | C3 | C2 | 136.4° | 154.3° |
| C5 | N1 | C4 | H4 | 115.1° | 111.6° |
| C5 | N1 | C4 | H1 | 154.0° | 88.4° |
| C5 | N1 | C4 | H2 | 76.6° | 141.1° |
| C1 | C2 | C3 | H9 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 171.1° | 180.0° |
| C2 | C1 | H6 | H7 | 120.0° | 119.9° |
| C2 | C1 | H6 | H8 | 120.0° | 120.0° |
| C2 | C1 | H7 | H8 | 120.0° | 120.0° |
| C2 | C3 | C4 | N1 | 136.9° | 154.3° |
| C2 | C3 | C4 | H1 | 21.6° | 90.9° |
| C2 | C3 | C4 | H2 | 107.8° | 39.6° |
| C2 | C3 | C5 | H3 | 114.8° | 91.0° |
| C3 | C2 | C1 | H6 | 180.0° | 59.9° |
| C3 | C2 | C1 | H7 | 60.0° | 60.0° |
| C3 | C2 | C1 | H8 | 60.0° | 180.0° |
| C3 | C4 | N1 | H1 | 115.3° | 114.8° |
| C3 | C4 | N1 | H2 | 115.3° | 114.7° |
| C3 | C4 | H1 | H2 | 132.3° | 130.9° |
| C4 | C3 | C5 | H3 | 70.7° | 89.0° |
| C3 | C4 | N1 | H4 | 153.8° | 138.0° |
| C4 | C3 | C2 | H9 | 8.9° | 0.1° |
| N1 | C4 | H1 | H2 | 132.3° | 130.9° |
| C4 | N1 | C5 | H3 | 69.4° | 88.3° |
| H1 | C4 | N1 | H4 | 90.9° | 23.2° |
| H2 | C4 | N1 | H4 | 38.5° | 107.3° |
| H3 | C5 | N1 | H4 | 45.7° | 23.2° |
| H6 | C1 | H7 | H8 | 120.0° | 120.0° |
| H6 | C1 | C2 | H9 | 0.0° | 120.0° |
| H7 | C1 | C2 | H9 | 120.1° | 120.0° |
| H8 | C1 | C2 | H9 | 120.0° | 0.0° |






