A1EHP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | O1 | sing | 1.21Å | 1.42Å | Aromatic |
| N1 | C2 | doub | 1.30Å | 1.31Å | Aromatic |
| O1 | C3 | sing | 1.34Å | 1.35Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.49Å | |
| C2 | C5 | sing | 1.41Å | 1.41Å | Aromatic |
| C3 | C5 | doub | 1.35Å | 1.36Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.48Å | |
| C5 | C6 | sing | 1.51Å | 1.49Å | |
| O2 | C6 | sing | 1.43Å | 1.42Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| O2 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | N1 | C2 | 106.4° | 111.6° |
| N1 | O1 | C3 | 108.3° | 111.6° |
| N1 | C2 | C1 | 119.7° | 126.8° |
| N1 | C2 | C5 | 110.7° | 106.4° |
| O1 | C3 | C5 | 108.6° | 106.4° |
| O1 | C3 | C4 | 116.5° | 126.8° |
| C1 | C2 | C5 | 129.5° | 126.9° |
| C2 | C1 | H6 | 109.5° | 109.5° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C2 | C5 | C3 | 105.9° | 104.1° |
| C2 | C5 | C6 | 127.1° | 128.0° |
| C5 | C3 | C4 | 134.9° | 126.8° |
| C3 | C5 | C6 | 126.9° | 128.0° |
| C3 | C4 | H1 | 109.5° | 109.5° |
| C3 | C4 | H2 | 109.5° | 109.5° |
| C3 | C4 | H3 | 109.4° | 109.4° |
| C5 | C6 | O2 | 113.0° | 109.5° |
| C5 | C6 | H4 | 108.6° | 109.5° |
| C5 | C6 | H5 | 108.6° | 109.5° |
| O2 | C6 | H4 | 108.6° | 109.5° |
| O2 | C6 | H5 | 108.6° | 109.5° |
| C6 | O2 | H9 | 109.5° | 114.0° |
| H1 | C4 | H2 | 109.4° | 109.5° |
| H1 | C4 | H3 | 109.5° | 109.4° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.4° |
| H6 | C1 | H7 | 109.4° | 109.5° |
| H6 | C1 | H8 | 109.5° | 109.5° |
| H7 | C1 | H8 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | N1 | C2 | C1 | 179.8° | 180.0° |
| O1 | N1 | C2 | C5 | 0.6° | 0.0° |
| N1 | O1 | C3 | C5 | 0.2° | 0.0° |
| N1 | O1 | C3 | C4 | 179.6° | 179.9° |
| C2 | N1 | O1 | C3 | 0.5° | 0.0° |
| N1 | C2 | C1 | C5 | 179.4° | 180.0° |
| N1 | C2 | C5 | C3 | 0.5° | 0.0° |
| N1 | C2 | C5 | C6 | 179.0° | 180.0° |
| N1 | C2 | C1 | H6 | 0.0° | 90.0° |
| N1 | C2 | C1 | H7 | 120.0° | 150.0° |
| N1 | C2 | C1 | H8 | 120.0° | 30.0° |
| O1 | C3 | C5 | C2 | 0.1° | 0.0° |
| O1 | C3 | C5 | C4 | 179.8° | 180.0° |
| O1 | C3 | C5 | C6 | 179.4° | 180.0° |
| O1 | C3 | C4 | H1 | 0.0° | 90.1° |
| O1 | C3 | C4 | H2 | 120.0° | 30.0° |
| O1 | C3 | C4 | H3 | 120.0° | 150.0° |
| C1 | C2 | C5 | C3 | 180.0° | 180.0° |
| C1 | C2 | C5 | C6 | 0.5° | 0.1° |
| C2 | C1 | H6 | H7 | 120.0° | 120.0° |
| C2 | C1 | H6 | H8 | 120.0° | 120.0° |
| C2 | C1 | H7 | H8 | 120.0° | 120.0° |
| C2 | C5 | C3 | C6 | 179.5° | 180.0° |
| C2 | C5 | C3 | C4 | 180.0° | 179.9° |
| C2 | C5 | C6 | O2 | 87.1° | 90.0° |
| C2 | C5 | C6 | H4 | 152.3° | 149.9° |
| C2 | C5 | C6 | H5 | 33.4° | 30.0° |
| C5 | C2 | C1 | H6 | 179.4° | 90.0° |
| C5 | C2 | C1 | H7 | 60.6° | 30.1° |
| C5 | C2 | C1 | H8 | 59.4° | 150.0° |
| C3 | C5 | C6 | O2 | 93.5° | 90.0° |
| C5 | C3 | C4 | H1 | 179.8° | 90.0° |
| C5 | C3 | C4 | H2 | 59.8° | 150.0° |
| C5 | C3 | C4 | H3 | 60.2° | 30.0° |
| C3 | C5 | C6 | H4 | 27.1° | 30.0° |
| C3 | C5 | C6 | H5 | 146.0° | 150.0° |
| C4 | C3 | C5 | C6 | 0.5° | 0.0° |
| C3 | C4 | H1 | H2 | 120.0° | 120.1° |
| C3 | C4 | H1 | H3 | 120.0° | 119.9° |
| C3 | C4 | H2 | H3 | 120.0° | 120.0° |
| C5 | C6 | O2 | H4 | 120.5° | 120.1° |
| C5 | C6 | O2 | H5 | 120.5° | 120.0° |
| C5 | C6 | H4 | H5 | 118.4° | 120.0° |
| C5 | C6 | O2 | H9 | 180.0° | 180.0° |
| O2 | C6 | H4 | H5 | 118.4° | 119.9° |
| H1 | C4 | H2 | H3 | 120.0° | 120.0° |
| H4 | C6 | O2 | H9 | 59.5° | 59.9° |
| H5 | C6 | O2 | H9 | 59.5° | 60.0° |
| H6 | C1 | H7 | H8 | 120.0° | 120.0° |
