A1BNQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.18Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C3 | O3 | doub | 1.21Å | 1.18Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C4 | H4C | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 120.6° | 120.0° |
| O1 | C1 | H1 | 119.7° | 120.0° |
| C1 | C2 | C3 | 108.5° | 109.4° |
| C2 | C1 | H1 | 119.7° | 120.1° |
| C1 | C2 | H2B | 109.7° | 109.4° |
| C1 | C2 | H2A | 109.7° | 109.5° |
| C2 | C3 | O3 | 119.9° | 120.1° |
| C2 | C3 | C4 | 119.2° | 120.0° |
| C3 | C2 | H2B | 109.7° | 109.5° |
| C3 | C2 | H2A | 109.7° | 109.5° |
| O3 | C3 | C4 | 120.9° | 120.0° |
| C3 | C4 | H4B | 109.5° | 109.5° |
| C3 | C4 | H4C | 109.5° | 109.4° |
| C3 | C4 | H4A | 109.5° | 109.4° |
| H2B | C2 | H2A | 109.5° | 109.4° |
| H4B | C4 | H4C | 109.4° | 109.5° |
| H4B | C4 | H4A | 109.5° | 109.5° |
| H4C | C4 | H4A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H1 | 180.0° | 179.7° |
| O1 | C1 | C2 | C3 | 120.2° | 125.0° |
| O1 | C1 | C2 | H2B | 0.3° | 115.0° |
| O1 | C1 | C2 | H2A | 120.0° | 5.0° |
| C1 | C2 | C3 | H2B | 119.9° | 120.0° |
| C1 | C2 | C3 | H2A | 119.8° | 120.0° |
| C1 | C2 | C3 | O3 | 96.0° | 0.0° |
| C1 | C2 | C3 | C4 | 83.8° | 180.0° |
| C1 | C2 | H2B | H2A | 120.4° | 120.0° |
| C2 | C3 | O3 | C4 | 179.9° | 180.0° |
| C3 | C2 | C1 | H1 | 59.8° | 54.7° |
| C3 | C2 | H2B | H2A | 120.4° | 120.1° |
| C2 | C3 | C4 | H4B | 179.9° | 90.0° |
| C2 | C3 | C4 | H4C | 59.9° | 150.0° |
| C2 | C3 | C4 | H4A | 60.1° | 30.0° |
| O3 | C3 | C2 | H2B | 144.1° | 120.0° |
| O3 | C3 | C2 | H2A | 23.8° | 120.0° |
| O3 | C3 | C4 | H4B | 0.0° | 90.0° |
| O3 | C3 | C4 | H4C | 120.0° | 30.0° |
| O3 | C3 | C4 | H4A | 120.0° | 150.0° |
| C4 | C3 | C2 | H2B | 36.0° | 60.0° |
| C4 | C3 | C2 | H2A | 156.3° | 60.0° |
| C3 | C4 | H4B | H4C | 120.0° | 119.9° |
| C3 | C4 | H4B | H4A | 120.0° | 120.0° |
| C3 | C4 | H4C | H4A | 120.0° | 119.9° |
| H1 | C1 | C2 | H2B | 179.7° | 65.3° |
| H1 | C1 | C2 | H2A | 60.0° | 174.8° |
| H4B | C4 | H4C | H4A | 119.9° | 120.1° |
